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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(homoveratrylamino)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H26N4O2 MolecularWeight: 414.49954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCC4=CC(=C(C=C4)OC)OC)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCC4=CC(=C(C=C4)OC)OC)C#N

InChI

InChI=1S/C25H26N4O2/c1-4-7-18-15-24(27-13-12-17-10-11-22(30-2)23(14-17)31-3)29-21-9-6-5-8-20(21)28-25(29)19(18)16-26/h5-6,8-11,14-15,27H,4,7,12-13H2,1-3H3