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

Systemtic Name: 3-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-2-octyl-1-[4-(o-tolyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[4-(2-methylphenyl)-1-piperazinyl]-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-2-octyl-1-[4-(o-tolyl)piperazino]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C32H39N5 MolecularWeight: 493.68556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=CC=CC=C5C

Isomeric SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=CC=CC=C5C

InChI

InChI=1S/C32H39N5/c1-4-5-6-7-8-9-15-26-25(3)27(23-33)31-34-28-16-11-13-18-30(28)37(31)32(26)36-21-19-35(20-22-36)29-17-12-10-14-24(29)2/h10-14,16-18H,4-9,15,19-22H2,1-3H3