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

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-1-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O5/c1-28-19-13-16(14-20(15-19)29-2)3-8-21(25)23-11-9-22(10-12-23)17-4-6-18(7-5-17)24(26)27/h4-7,13-15H,3,8-12H2,1-2H3