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

Systemtic Name: 1-[2-(azepan-1-yl)ethylamino]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(azepan-1-yl)ethylamino]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[2-(1-azepanyl)ethylamino]-3-methyl-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(azepan-1-yl)ethylamino]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[2-(azepan-1-yl)ethylamino]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H41N5 MolecularWeight: 459.66934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCN4CCCCCC4

Isomeric SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCN4CCCCCC4

InChI

InChI=1S/C29H41N5/c1-3-4-5-6-7-10-15-24-23(2)25(22-30)29-32-26-16-11-12-17-27(26)34(29)28(24)31-18-21-33-19-13-8-9-14-20-33/h11-12,16-17,31H,3-10,13-15,18-21H2,1-2H3