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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: 2-[4-(4-nitrophenyl)piperazino]-N-piperonyl-propionamide Formula: C21H24N4O5 MolecularWeight: 412.43906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-15(21(26)22-13-16-2-7-19-20(12-16)30-14-29-19)23-8-10-24(11-9-23)17-3-5-18(6-4-17)25(27)28/h2-7,12,15H,8-11,13-14H2,1H3,(H,22,26)