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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-(4-piperonyloylpiperazino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H21N5O3 MolecularWeight: 439.46594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6)C#N

InChI

InChI=1S/C25H21N5O3/c1-16-12-23(30-20-5-3-2-4-19(20)27-24(30)18(16)14-26)28-8-10-29(11-9-28)25(31)17-6-7-21-22(13-17)33-15-32-21/h2-7,12-13H,8-11,15H2,1H3