3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(p-tolyl)benzamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N-(4-methylphenyl)benzamide IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide Traditional Name: 3-[(4-piperonylpiperazino)methyl]-N-(p-tolyl)benzamide Formula: C27H29N3O3 MolecularWeight: 443.53746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29N3O3/c1-20-5-8-24(9-6-20)28-27(31)23-4-2-3-21(15-23)17-29-11-13-30(14-12-29)18-22-7-10-25-26(16-22)33-19-32-25/h2-10,15-16H,11-14,17-19H2,1H3,(H,28,31)