[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone hydrochloride

Systemtic Name: [4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone hydrochloride Openeye Name: [4-[(4-fluorophenyl)-hydroxy-methyl]-1-piperidyl]-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenyl]methanone hydrochloride CAS Name: [4-[(4-fluorophenyl)-hydroxymethyl]-1-piperidinyl]-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]phenyl]methanone hydrochloride IUPAC Name: [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone hydrochloride Traditional Name: [4-[(4-fluorophenyl)-hydroxy-methyl]piperidino]-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenyl]methanone hydrochloride Formula: C29H26ClF4N3O2 MolecularWeight: 559.982253

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=C(C=C2)F)O)C(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F.Cl

Isomeric SMILES

C1CN(CCC1C(C2=CC=C(C=C2)F)O)C(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F.Cl

InChI

InChI=1S/C29H25F4N3O2.ClH/c30-22-6-1-18(2-7-22)27(37)19-12-15-36(16-13-19)28(38)20-3-8-23(9-4-20)35-25-11-14-34-26-17-21(29(31,32)33)5-10-24(25)26;/h1-11,14,17,19,27,37H,12-13,15-16H2,(H,34,35);1H