methyl 1-[(7-cyanonaphthalen-2-yl)methyl]-2-oxidanylidene-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 1-[(7-cyanonaphthalen-2-yl)methyl]-2-oxidanylidene-3H-benzimidazole-5-carboxylate Openeye Name: methyl 1-[(7-cyano-2-naphthyl)methyl]-2-oxo-3H-benzimidazole-5-carboxylate CAS Name: 1-[(7-cyano-2-naphthalenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[(7-cyanonaphthalen-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylate Traditional Name: 1-[(7-cyano-2-naphthyl)methyl]-2-keto-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=O)N2)CC3=CC4=C(C=C3)C=CC(=C4)C#N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=O)N2)CC3=CC4=C(C=C3)C=CC(=C4)C#N

InChI

InChI=1S/C21H15N3O3/c1-27-20(25)16-6-7-19-18(10-16)23-21(26)24(19)12-14-3-5-15-4-2-13(11-22)8-17(15)9-14/h2-10H,12H2,1H3,(H,23,26)