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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanamide CAS Name: N-(4-acetylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanamide Traditional Name: N-(4-acetylphenyl)-2-(4-piperonylpiperazino)propionamide Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O4/c1-16(23(28)24-20-6-4-19(5-7-20)17(2)27)26-11-9-25(10-12-26)14-18-3-8-21-22(13-18)30-15-29-21/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,24,28)