5-fluoranyl-3-[(1S,2R)-3-(methylamino)-2-oxidanyl-1-phenyl-propyl]-1-propyl-benzimidazol-2-one hydrochloride

Systemtic Name: 5-fluoranyl-3-[(1S,2R)-3-(methylamino)-2-oxidanyl-1-phenyl-propyl]-1-propyl-benzimidazol-2-one hydrochloride Openeye Name: 5-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenyl-propyl]-1-propyl-benzimidazol-2-one hydrochloride CAS Name: 5-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-1-propyl-2-benzimidazolone hydrochloride IUPAC Name: 5-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-1-propylbenzimidazol-2-one hydrochloride Traditional Name: 5-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenyl-propyl]-1-propyl-benzimidazol-2-one hydrochloride Formula: C20H25ClFN3O2 MolecularWeight: 393.882803

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)F)N(C1=O)C(C3=CC=CC=C3)C(CNC)O.Cl

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)F)N(C1=O)[C@@H](C3=CC=CC=C3)[C@@H](CNC)O.Cl

InChI

InChI=1S/C20H24FN3O2.ClH/c1-3-11-23-16-10-9-15(21)12-17(16)24(20(23)26)19(18(25)13-22-2)14-7-5-4-6-8-14;/h4-10,12,18-19,22,25H,3,11,13H2,1-2H3;1H/t18-,19+;/m1./s1