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

Systemtic Name: 1-(4-cyclohexylpiperazin-1-yl)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-cyclohexylpiperazin-1-yl)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(4-cyclohexyl-1-piperazinyl)-3-methyl-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-cyclohexylpiperazin-1-yl)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-cyclohexylpiperazino)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C31H43N5 MolecularWeight: 485.70662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C31H43N5/c1-3-4-5-6-7-11-16-26-24(2)27(23-32)30-33-28-17-12-13-18-29(28)36(30)31(26)35-21-19-34(20-22-35)25-14-9-8-10-15-25/h12-13,17-18,25H,3-11,14-16,19-22H2,1-2H3