[1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(2-bromophenyl)carbamoyl]propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(2-bromoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-bromoanilino)-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-[(2-bromophenyl)carbamoyl]propyl ester Formula: C23H19BrN4O3 MolecularWeight: 479.32596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C23H19BrN4O3/c1-2-20(22(29)28-17-8-4-3-7-16(17)24)31-23(30)14-9-10-18-19(12-14)27-21(26-18)15-6-5-11-25-13-15/h3-13,20H,2H2,1H3,(H,26,27)(H,28,29)