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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-ethanoylphenyl)propanamide Openeye Name: N-(3-acetylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanamide CAS Name: N-(3-acetylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-acetylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanamide Traditional Name: N-(3-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=CC(=C1)C(=O)C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

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