7,8-dimethyl-1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 7,8-dimethyl-1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-benzyl-1-hydroxy-7,8-dimethyl-3-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-hydroxy-7,8-dimethyl-3-oxo-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile IUPAC Name: 2-benzyl-1-hydroxy-7,8-dimethyl-3-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-benzyl-1-hydroxy-3-keto-7,8-dimethyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N3C(=C(C(=O)C(=C3O)CC4=CC=CC=C4)C#N)N2

Isomeric SMILES

CC1=CC2=C(C=C1C)N3C(=C(C(=O)C(=C3O)CC4=CC=CC=C4)C#N)N2

InChI

InChI=1S/C21H17N3O2/c1-12-8-17-18(9-13(12)2)24-20(23-17)16(11-22)19(25)15(21(24)26)10-14-6-4-3-5-7-14/h3-9,23,26H,10H2,1-2H3