1-[(4-methoxyphenyl)amino]-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(4-methoxyphenyl)amino]-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-isopentyl-1-(4-methoxyanilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(4-methoxyanilino)-3-methyl-2-(3-methylbutyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-methoxyanilino)-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-isoamyl-3-methyl-1-(p-anisidino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)NC4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)NC4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C25H26N4O/c1-16(2)9-14-20-17(3)21(15-26)25-28-22-7-5-6-8-23(22)29(25)24(20)27-18-10-12-19(30-4)13-11-18/h5-8,10-13,16,27H,9,14H2,1-4H3