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

Systemtic Name: 4-fluoranyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-nitro-1-phenyl-butan-1-one hydrochloride Openeye Name: 4-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-nitro-1-phenyl-butan-1-one hydrochloride CAS Name: 4-fluoro-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-nitro-1-phenyl-1-butanone hydrochloride IUPAC Name: 4-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-nitro-1-phenylbutan-1-one hydrochloride Traditional Name: 4-fluoro-4-[4-(2-methoxyphenyl)piperazino]-2-nitro-1-phenyl-butan-1-one hydrochloride Formula: C21H25ClFN3O4 MolecularWeight: 437.892303

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O4.ClH/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;1H