[1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(3,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(3,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dichloroanilino)-1-oxopropan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-(3,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H16Cl2N4O3 MolecularWeight: 455.29344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C22H16Cl2N4O3/c1-12(21(29)26-15-5-6-16(23)17(24)10-15)31-22(30)13-4-7-18-19(9-13)28-20(27-18)14-3-2-8-25-11-14/h2-12H,1H3,(H,26,29)(H,27,28)