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

Systemtic Name: 4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-(4-fluoranyl-2-nitro-phenyl)butan-1-one Openeye Name: 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluoro-2-nitro-phenyl)butan-1-one CAS Name: 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluoro-2-nitrophenyl)-1-butanone IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluoro-2-nitrophenyl)butan-1-one Traditional Name: 4-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-1-(4-fluoro-2-nitro-phenyl)butan-1-one Formula: C21H22ClFN2O4 MolecularWeight: 420.861783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClFN2O4/c22-16-5-3-15(4-6-16)21(27)9-12-24(13-10-21)11-1-2-20(26)18-8-7-17(23)14-19(18)25(28)29/h3-8,14,27H,1-2,9-13H2