Mrv1572004221606122D 29 31 0 0 0 0 999 V2000 1.6422 -1.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2701 0.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8576 -1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 -0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3235 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3235 2.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 2.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1637 -1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4186 -0.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 2.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8946 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8946 2.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0837 -0.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 2.4134 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 -1.3312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -0.8436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 -0.0616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 3.2384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 -0.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 3.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 3.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 6 5 2 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 10 9 2 0 0 0 0 12 11 2 0 0 0 0 15 9 1 0 0 0 0 15 13 2 0 0 0 0 16 7 2 0 0 0 0 17 13 1 0 0 0 0 18 8 2 0 0 0 0 18 16 1 0 0 0 0 19 10 1 0 0 0 0 19 17 2 0 0 0 0 20 14 1 0 0 0 0 21 16 1 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 11 1 0 0 0 0 23 20 2 0 0 0 0 24 3 1 0 0 0 0 24 4 1 0 0 0 0 24 14 1 0 0 0 0 25 12 1 0 0 0 0 25 19 1 0 0 0 0 25 20 1 0 0 0 0 26 15 1 0 0 0 0 27 21 2 0 0 0 0 28 26 2 0 0 0 0 29 26 2 0 0 0 0 M END > DB13546 > drugbank > CCN(CC)CC1=NC=CN1C1=C(C=C(C=C1)N(=O)=O)C(=O)C1=CC=CC=C1Cl > InChI=1S/C21H21ClN4O3/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22/h5-13H,3-4,14H2,1-2H3 > WZGBZLHGOVJDET-UHFFFAOYSA-N > C21H21ClN4O3 > 412.87 > 412.1302183 > 5 > 50 > 41.25349661187916 > 1 > 0 > 0 > 1 > ({1-[2-(2-chlorobenzoyl)-4-nitrophenyl]-1H-imidazol-2-yl}methyl)diethylamine > 4.20 > 4.467971338666667 > -4.75 > 1 > 3 > 0 > 6.730417942105125 > 83.94999999999999 > 124.07829999999996 > 8 > 1 > 7.33e-03 g/l > nizofenone > 0 > DB13546 > experimental > Nizofenone > Nizofenone $$$$