2-butyl-3-methyl-1-[4-(phenylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 2-butyl-3-methyl-1-[4-(phenylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-butyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-butyl-3-methyl-1-[4-(phenylmethyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-butyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-benzylpiperazino)-2-butyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C28H31N5 MolecularWeight: 437.57924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N5/c1-3-4-12-23-21(2)24(19-29)27-30-25-13-8-9-14-26(25)33(27)28(23)32-17-15-31(16-18-32)20-22-10-6-5-7-11-22/h5-11,13-14H,3-4,12,15-18,20H2,1-2H3