5-[2-[4-(2-azanyl-1,3-thiazol-4-yl)-4-phenyl-piperidin-1-yl]ethyl]-5-[3,4-bis(fluoranyl)phenyl]-1-(phenylmethyl)piperidin-2-one hydrate dihydrochloride

Systemtic Name: 5-[2-[4-(2-azanyl-1,3-thiazol-4-yl)-4-phenyl-piperidin-1-yl]ethyl]-5-[3,4-bis(fluoranyl)phenyl]-1-(phenylmethyl)piperidin-2-one hydrate dihydrochloride Openeye Name: 5-[2-[4-(2-aminothiazol-4-yl)-4-phenyl-1-piperidyl]ethyl]-1-benzyl-5-(3,4-difluorophenyl)piperidin-2-one hydrate dihydrochloride CAS Name: 5-[2-[4-(2-amino-4-thiazolyl)-4-phenyl-1-piperidinyl]ethyl]-5-(3,4-difluorophenyl)-1-(phenylmethyl)-2-piperidinone hydrate dihydrochloride IUPAC Name: 5-[2-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]ethyl]-1-benzyl-5-(3,4-difluorophenyl)piperidin-2-one hydrate dihydrochloride Traditional Name: 5-[2-[4-(2-aminothiazol-4-yl)-4-phenyl-piperidino]ethyl]-1-benzyl-5-(3,4-difluorophenyl)-2-piperidone hydrate dihydrochloride Formula: C34H40Cl2F2N4O2S MolecularWeight: 677.674806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1=O)CC2=CC=CC=C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C5=CSC(=N5)N)C6=CC(=C(C=C6)F)F.O.Cl.Cl

Isomeric SMILES

C1CC(CN(C1=O)CC2=CC=CC=C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C5=CSC(=N5)N)C6=CC(=C(C=C6)F)F.O.Cl.Cl

InChI

InChI=1S/C34H36F2N4OS.2ClH.H2O/c35-28-12-11-27(21-29(28)36)33(14-13-31(41)40(24-33)22-25-7-3-1-4-8-25)15-18-39-19-16-34(17-20-39,26-9-5-2-6-10-26)30-23-42-32(37)38-30;;;/h1-12,21,23H,13-20,22,24H2,(H2,37,38);2*1H;1H2