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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-pentyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-pentyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-pentyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-amyl-1-(homoveratrylamino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H32N4O2/c1-5-6-7-10-21-19(2)22(18-29)28-31-23-11-8-9-12-24(23)32(28)27(21)30-16-15-20-13-14-25(33-3)26(17-20)34-4/h8-9,11-14,17,30H,5-7,10,15-16H2,1-4H3