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

Systemtic Name: 3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[4-(2-methylallyl)piperazin-1-yl]-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[4-(2-methylprop-2-enyl)-1-piperazinyl]-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-[4-(2-methylallyl)piperazino]-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H39N5 MolecularWeight: 457.65346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N5/c1-5-6-7-8-9-10-13-24-23(4)25(20-30)28-31-26-14-11-12-15-27(26)34(28)29(24)33-18-16-32(17-19-33)21-22(2)3/h11-12,14-15H,2,5-10,13,16-19,21H2,1,3-4H3