1-(hexylamino)-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-(hexylamino)-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(hexylamino)-3-methyl-2-(p-tolylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(hexylamino)-3-methyl-2-[(4-methylphenyl)methyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(hexylamino)-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(hexylamino)-3-methyl-2-(4-methylbenzyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H30N4 MolecularWeight: 410.5539

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC4=CC=C(C=C4)C

Isomeric SMILES

CCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC4=CC=C(C=C4)C

InChI

InChI=1S/C27H30N4/c1-4-5-6-9-16-29-26-22(17-21-14-12-19(2)13-15-21)20(3)23(18-28)27-30-24-10-7-8-11-25(24)31(26)27/h7-8,10-15,29H,4-6,9,16-17H2,1-3H3