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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3,4-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=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-28-19-9-3-16(15-20(19)29-2)4-10-21(25)23-13-11-22(12-14-23)17-5-7-18(8-6-17)24(26)27/h3,5-9,15H,4,10-14H2,1-2H3