[1-oxidanylidene-1-(pyridin-3-ylamino)propan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(pyridin-3-ylamino)propan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(3-pyridylamino)ethyl] 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [1-oxo-1-(3-pyridinylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid [2-keto-1-methyl-2-(3-pyridylamino)ethyl] ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OC(C)C(=O)NC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OC(C)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C23H20N4O3/c1-14-5-7-16(8-6-14)21-26-19-10-9-17(12-20(19)27-21)23(29)30-15(2)22(28)25-18-4-3-11-24-13-18/h3-13,15H,1-2H3,(H,25,28)(H,26,27)