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

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-[4-(4-methylphenyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-isopentyl-3-methyl-1-[4-(p-tolyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-[4-(4-methylphenyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-[4-(4-methylphenyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-isoamyl-3-methyl-1-[4-(p-tolyl)piperazino]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H33N5 MolecularWeight: 451.60582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=C(C4=NC5=CC=CC=C5N34)C#N)C)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=C(C4=NC5=CC=CC=C5N34)C#N)C)CCC(C)C

InChI

InChI=1S/C29H33N5/c1-20(2)9-14-24-22(4)25(19-30)28-31-26-7-5-6-8-27(26)34(28)29(24)33-17-15-32(16-18-33)23-12-10-21(3)11-13-23/h5-8,10-13,20H,9,14-18H2,1-4H3