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

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6/c1-29-19-14-16(15-20(30-2)22(19)31-3)4-9-21(26)24-12-10-23(11-13-24)17-5-7-18(8-6-17)25(27)28/h5-8,14-15H,4,9-13H2,1-3H3