ethyl 3-[[1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-4-phenyl-imidazole-1-carboxylate

Systemtic Name: ethyl 3-[[1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-4-phenyl-imidazole-1-carboxylate Openeye Name: ethyl 3-[[1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-2-oxo-4-phenyl-imidazole-1-carboxylate CAS Name: 3-[[1-(3-cyanopropyl)-2-benzimidazolyl]methyl]-2-oxo-4-phenyl-1-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-2-oxo-4-phenylimidazole-1-carboxylate Traditional Name: 3-[[1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-2-keto-4-phenyl-4-imidazoline-1-carboxylic acid ethyl ester Formula: C24H23N5O3 MolecularWeight: 429.47112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(N(C1=O)CC2=NC3=CC=CC=C3N2CCCC#N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1C=C(N(C1=O)CC2=NC3=CC=CC=C3N2CCCC#N)C4=CC=CC=C4

InChI

InChI=1S/C24H23N5O3/c1-2-32-24(31)29-16-21(18-10-4-3-5-11-18)28(23(29)30)17-22-26-19-12-6-7-13-20(19)27(22)15-9-8-14-25/h3-7,10-13,16H,2,8-9,15,17H2,1H3