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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(homoveratrylamino)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C31H38N4O2/c1-5-6-7-8-9-10-13-24-22(2)25(21-32)31-34-26-14-11-12-15-27(26)35(31)30(24)33-19-18-23-16-17-28(36-3)29(20-23)37-4/h11-12,14-17,20,33H,5-10,13,18-19H2,1-4H3