N-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[[4-(m-tolyl)piperazin-1-yl]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[4-(3-methylphenyl)-1-piperazinyl]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[4-(m-tolyl)piperazino]methyl]phenyl]-piperonylamide Formula: C26H27N3O3 MolecularWeight: 429.51088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O3/c1-19-3-2-4-23(15-19)29-13-11-28(12-14-29)17-20-5-8-22(9-6-20)27-26(30)21-7-10-24-25(16-21)32-18-31-24/h2-10,15-16H,11-14,17-18H2,1H3,(H,27,30)