[4-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]-(4-methylphenyl)methanone

Systemtic Name: [4-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]-(4-methylphenyl)methanone Openeye Name: [4-(4,5-dimethoxy-2-nitro-benzoyl)piperazin-1-yl]-(p-tolyl)methanone CAS Name: [4-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-1-piperazinyl]-(4-methylphenyl)methanone IUPAC Name: [4-(4,5-dimethoxy-2-nitrobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone Traditional Name: [4-(4,5-dimethoxy-2-nitro-benzoyl)piperazino]-(p-tolyl)methanone Formula: C21H23N3O6 MolecularWeight: 413.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H23N3O6/c1-14-4-6-15(7-5-14)20(25)22-8-10-23(11-9-22)21(26)16-12-18(29-2)19(30-3)13-17(16)24(27)28/h4-7,12-13H,8-11H2,1-3H3