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

Systemtic Name: 1-[(3-methoxyphenyl)amino]-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-isopentyl-1-(3-methoxyanilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(3-methoxyanilino)-3-methyl-2-(3-methylbutyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(3-methoxyanilino)-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-isoamyl-1-(m-anisidino)-3-methyl-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(=CC=C4)OC)C#N

Isomeric SMILES

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

InChI

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