1-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]-4-phenyl-piperazine hydrate dihydrochloride

Systemtic Name: 1-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]-4-phenyl-piperazine hydrate dihydrochloride Openeye Name: 1-[[5-(4-fluorophenyl)-3-pyridyl]methyl]-4-phenyl-piperazine hydrate dihydrochloride CAS Name: 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine hydrate dihydrochloride IUPAC Name: 1-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]-4-phenylpiperazine hydrate dihydrochloride Traditional Name: 1-[[5-(4-fluorophenyl)-3-pyridyl]methyl]-4-phenyl-piperazine hydrate dihydrochloride Formula: C22H26Cl2FN3O MolecularWeight: 438.365743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC(=C2)C3=CC=C(C=C3)F)C4=CC=CC=C4.O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CN=CC(=C2)C3=CC=C(C=C3)F)C4=CC=CC=C4.O.Cl.Cl

InChI

InChI=1S/C22H22FN3.2ClH.H2O/c23-21-8-6-19(7-9-21)20-14-18(15-24-16-20)17-25-10-12-26(13-11-25)22-4-2-1-3-5-22;;;/h1-9,14-16H,10-13,17H2;2*1H;1H2