3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-nitrophenyl)propan-1-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-nitrophenyl)propan-1-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-nitrophenyl)propan-1-one CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(4-nitrophenyl)-1-propanone IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-nitrophenyl)propan-1-one Traditional Name: 1-(4-nitrophenyl)-3-(4-piperonylpiperazino)propan-1-one Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O5/c25-19(17-2-4-18(5-3-17)24(26)27)7-8-22-9-11-23(12-10-22)14-16-1-6-20-21(13-16)29-15-28-20/h1-6,13H,7-12,14-15H2