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

Systemtic Name: 3-[3-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[3-(1,3-benzodioxol-5-ylmethyl)-1-piperidyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[3-(1,3-benzodioxol-5-ylmethyl)-1-piperidinyl]-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[3-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-3-(3-piperonylpiperidino)propan-1-one Formula: C26H32N4O5 MolecularWeight: 480.55608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H32N4O5/c31-26(29-14-12-28(13-15-29)22-4-6-23(7-5-22)30(32)33)9-11-27-10-1-2-21(18-27)16-20-3-8-24-25(17-20)35-19-34-24/h3-8,17,21H,1-2,9-16,18-19H2