4-[4-(4-chlorophenyl)-4-oxidanyl-azepan-1-yl]-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[4-(4-chlorophenyl)-4-oxidanyl-azepan-1-yl]-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[4-(4-chlorophenyl)-4-hydroxy-azepan-1-yl]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[4-(4-chlorophenyl)-4-hydroxy-1-azepanyl]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxyazepan-1-yl]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[4-(4-chlorophenyl)-4-hydroxy-azepan-1-yl]-1-(4-fluorophenyl)butan-1-one Formula: C22H25ClFNO2 MolecularWeight: 389.890803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CCCC(=O)C2=CC=C(C=C2)F)(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CC(CCN(C1)CCCC(=O)C2=CC=C(C=C2)F)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C22H25ClFNO2/c23-19-8-6-18(7-9-19)22(27)12-2-15-25(16-13-22)14-1-3-21(26)17-4-10-20(24)11-5-17/h4-11,27H,1-3,12-16H2