4-(azepan-1-yl)-1-(3-fluorophenyl)-1-phenyl-but-2-yn-1-ol hydrochloride

Systemtic Name: 4-(azepan-1-yl)-1-(3-fluorophenyl)-1-phenyl-but-2-yn-1-ol hydrochloride Openeye Name: 4-(azepan-1-yl)-1-(3-fluorophenyl)-1-phenyl-but-2-yn-1-ol hydrochloride CAS Name: 4-(1-azepanyl)-1-(3-fluorophenyl)-1-phenyl-2-butyn-1-ol hydrochloride IUPAC Name: 4-(azepan-1-yl)-1-(3-fluorophenyl)-1-phenylbut-2-yn-1-ol hydrochloride Traditional Name: 4-(azepan-1-yl)-1-(3-fluorophenyl)-1-phenyl-but-2-yn-1-ol hydrochloride Formula: C22H25ClFNO MolecularWeight: 373.891403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CC(C2=CC=CC=C2)(C3=CC(=CC=C3)F)O.Cl

Isomeric SMILES

C1CCCN(CC1)CC#CC(C2=CC=CC=C2)(C3=CC(=CC=C3)F)O.Cl

InChI

InChI=1S/C22H24FNO.ClH/c23-21-13-8-12-20(18-21)22(25,19-10-4-3-5-11-19)14-9-17-24-15-6-1-2-7-16-24;/h3-5,8,10-13,18,25H,1-2,6-7,15-17H2;1H