1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-nitro-phenoxy)propan-1-one

Systemtic Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-nitro-phenoxy)propan-1-one Openeye Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-nitro-phenoxy)propan-1-one CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-3-(5-methyl-2-nitrophenoxy)-1-propanone IUPAC Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-nitrophenoxy)propan-1-one Traditional Name: 1-[4-(4-fluorophenyl)piperazino]-3-(5-methyl-2-nitro-phenoxy)propan-1-one Formula: C20H22FN3O4 MolecularWeight: 387.404783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O4/c1-15-2-7-18(24(26)27)19(14-15)28-13-8-20(25)23-11-9-22(10-12-23)17-5-3-16(21)4-6-17/h2-7,14H,8-13H2,1H3