1-(4-tert-butylphenyl)-4-[4-(3-fluoranyl-4-oxidanyl-phenyl)piperazin-1-yl]butan-1-one hydrochloride

Systemtic Name: 1-(4-tert-butylphenyl)-4-[4-(3-fluoranyl-4-oxidanyl-phenyl)piperazin-1-yl]butan-1-one hydrochloride Openeye Name: 1-(4-tert-butylphenyl)-4-[4-(3-fluoro-4-hydroxy-phenyl)piperazin-1-yl]butan-1-one hydrochloride CAS Name: 1-(4-tert-butylphenyl)-4-[4-(3-fluoro-4-hydroxyphenyl)-1-piperazinyl]-1-butanone hydrochloride IUPAC Name: 1-(4-tert-butylphenyl)-4-[4-(3-fluoro-4-hydroxyphenyl)piperazin-1-yl]butan-1-one hydrochloride Traditional Name: 1-(4-tert-butylphenyl)-4-[4-(3-fluoro-4-hydroxy-phenyl)piperazino]butan-1-one hydrochloride Formula: C24H32ClFN2O2 MolecularWeight: 434.974483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCN(CC2)C3=CC(=C(C=C3)O)F.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCN(CC2)C3=CC(=C(C=C3)O)F.Cl

InChI

InChI=1S/C24H31FN2O2.ClH/c1-24(2,3)19-8-6-18(7-9-19)22(28)5-4-12-26-13-15-27(16-14-26)20-10-11-23(29)21(25)17-20;/h6-11,17,29H,4-5,12-16H2,1-3H3;1H