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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(m-tolylmethyl)propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[(3-methylphenyl)methyl]propanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]propanamide Traditional Name: N-(3-methylbenzyl)-2-(4-piperonylpiperazino)propionamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-17-4-3-5-19(12-17)14-24-23(27)18(2)26-10-8-25(9-11-26)15-20-6-7-21-22(13-20)29-16-28-21/h3-7,12-13,18H,8-11,14-16H2,1-2H3,(H,24,27)