3-(2,5-dimethylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(2,5-dimethylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(2,5-dimethylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2,5-dimethylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,5-dimethylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(2,5-dimethylphenoxy)-1-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-16-3-4-17(2)20(15-16)28-14-9-21(25)23-12-10-22(11-13-23)18-5-7-19(8-6-18)24(26)27/h3-8,15H,9-14H2,1-2H3