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

Systemtic Name: 2-nitro-4-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-phenyl-butan-1-one Openeye Name: 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]-2-nitro-1-phenyl-butan-1-one CAS Name: 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-2-nitro-1-phenyl-1-butanone IUPAC Name: 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-nitro-1-phenylbutan-1-one Traditional Name: 4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidino]-2-nitro-1-phenyl-butan-1-one Formula: C22H23F3N2O4 MolecularWeight: 436.42423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCC(C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCC(C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23F3N2O4/c23-22(24,25)18-8-4-7-17(15-18)21(29)10-13-26(14-11-21)12-9-19(27(30)31)20(28)16-5-2-1-3-6-16/h1-8,15,19,29H,9-14H2