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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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