4-fluoranyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-nitro-1-phenyl-butan-1-one

Systemtic Name: 4-fluoranyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-nitro-1-phenyl-butan-1-one Openeye Name: 4-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-nitro-1-phenyl-butan-1-one CAS Name: 4-fluoro-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-nitro-1-phenyl-1-butanone IUPAC Name: 4-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-nitro-1-phenylbutan-1-one Traditional Name: 4-fluoro-4-[4-(2-methoxyphenyl)piperazino]-2-nitro-1-phenyl-butan-1-one Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(CC(C(=O)C3=CC=CC=C3)[N+](=O)[O-])F

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(CC(C(=O)C3=CC=CC=C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H24FN3O4/c1-29-19-10-6-5-9-17(19)23-11-13-24(14-12-23)20(22)15-18(25(27)28)21(26)16-7-3-2-4-8-16/h2-10,18,20H,11-15H2,1H3