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

Systemtic Name: 1-[(4-ethoxyphenyl)amino]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-ethoxyanilino)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(4-ethoxyanilino)-3-methyl-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-ethoxyanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-2-octyl-1-(p-phenetidino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H34N4O MolecularWeight: 454.60646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC=C(C=C4)OCC

Isomeric SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC=C(C=C4)OCC

InChI

InChI=1S/C29H34N4O/c1-4-6-7-8-9-10-13-24-21(3)25(20-30)29-32-26-14-11-12-15-27(26)33(29)28(24)31-22-16-18-23(19-17-22)34-5-2/h11-12,14-19,31H,4-10,13H2,1-3H3