1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-ethyl-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-ethyl-3-methyl-1-(4-piperonylpiperazino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H27N5O2 MolecularWeight: 453.53558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H27N5O2/c1-3-20-18(2)21(15-28)26-29-22-6-4-5-7-23(22)32(26)27(20)31-12-10-30(11-13-31)16-19-8-9-24-25(14-19)34-17-33-24/h4-9,14H,3,10-13,16-17H2,1-2H3