2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(m-tolyl)propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3-methylphenyl)propanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide Traditional Name: N-(m-tolyl)-2-(4-piperonylpiperazino)propionamide Formula: C22H27N3O3 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O3/c1-16-4-3-5-19(12-16)23-22(26)17(2)25-10-8-24(9-11-25)14-18-6-7-20-21(13-18)28-15-27-20/h3-7,12-13,17H,8-11,14-15H2,1-2H3,(H,23,26)