4-[4-(3-chloranyl-4-methyl-phenyl)-4-oxidanyl-piperidin-1-yl]-4-fluoranyl-2-nitro-1-phenyl-butan-1-one

Systemtic Name: 4-[4-(3-chloranyl-4-methyl-phenyl)-4-oxidanyl-piperidin-1-yl]-4-fluoranyl-2-nitro-1-phenyl-butan-1-one Openeye Name: 4-[4-(3-chloro-4-methyl-phenyl)-4-hydroxy-1-piperidyl]-4-fluoro-2-nitro-1-phenyl-butan-1-one CAS Name: 4-[4-(3-chloro-4-methylphenyl)-4-hydroxy-1-piperidinyl]-4-fluoro-2-nitro-1-phenyl-1-butanone IUPAC Name: 4-[4-(3-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-4-fluoro-2-nitro-1-phenylbutan-1-one Traditional Name: 4-[4-(3-chloro-4-methyl-phenyl)-4-hydroxy-piperidino]-4-fluoro-2-nitro-1-phenyl-butan-1-one Formula: C22H24ClFN2O4 MolecularWeight: 434.888363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(CCN(CC2)C(CC(C(=O)C3=CC=CC=C3)[N+](=O)[O-])F)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2(CCN(CC2)C(CC(C(=O)C3=CC=CC=C3)[N+](=O)[O-])F)O)Cl

InChI

InChI=1S/C22H24ClFN2O4/c1-15-7-8-17(13-18(15)23)22(28)9-11-25(12-10-22)20(24)14-19(26(29)30)21(27)16-5-3-2-4-6-16/h2-8,13,19-20,28H,9-12,14H2,1H3