3-(2,3-dimethoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(2,3-dimethoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(2,3-dimethoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2,3-dimethoxyphenyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,3-dimethoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(2,3-dimethoxyphenyl)-1-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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