3-methyl-1-[(5-methyl-2-oxidanyl-phenyl)amino]-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-[(5-methyl-2-oxidanyl-phenyl)amino]-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-benzyl-1-(2-hydroxy-5-methyl-anilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(2-hydroxy-5-methylanilino)-3-methyl-2-(phenylmethyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-benzyl-1-(2-hydroxy-5-methylanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-benzyl-1-(2-hydroxy-5-methyl-anilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H22N4O MolecularWeight: 418.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O/c1-17-12-13-25(32)23(14-17)30-26-20(15-19-8-4-3-5-9-19)18(2)21(16-28)27-29-22-10-6-7-11-24(22)31(26)27/h3-14,30,32H,15H2,1-2H3