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

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(3-chloro-2-methyl-phenyl)carbamoyl]propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(3-chloro-2-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloro-2-methylanilino)-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-[(3-chloro-2-methyl-phenyl)carbamoyl]propyl ester Formula: C24H21ClN4O3 MolecularWeight: 448.90154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN4O3/c1-3-21(23(30)29-18-8-4-7-17(25)14(18)2)32-24(31)15-9-10-19-20(12-15)28-22(27-19)16-6-5-11-26-13-16/h4-13,21H,3H2,1-2H3,(H,27,28)(H,29,30)