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

Systemtic Name: 1-[(4-butylphenyl)amino]-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-butylanilino)-2-isopentyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(4-butylanilino)-3-methyl-2-(3-methylbutyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-butylanilino)-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-butylanilino)-2-isoamyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C28H32N4 MolecularWeight: 424.58048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CCC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CCC(C)C

InChI

InChI=1S/C28H32N4/c1-5-6-9-21-13-15-22(16-14-21)30-27-23(17-12-19(2)3)20(4)24(18-29)28-31-25-10-7-8-11-26(25)32(27)28/h7-8,10-11,13-16,19,30H,5-6,9,12,17H2,1-4H3