(2R)-1-[(3aR,8aS)-6-(iminomethyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-2-[(1R)-3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanone hydrochloride

Systemtic Name: (2R)-1-[(3aR,8aS)-6-(iminomethyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-2-[(1R)-3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanone hydrochloride Openeye Name: (2R)-1-[(3aR,8aS)-6-methanimidoyl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-ethanone hydrochloride CAS Name: (2R)-1-[(3aR,8aS)-6-methanimidoyl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone hydrochloride IUPAC Name: (2R)-1-[(3aR,8aS)-6-methanimidoyl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone hydrochloride Traditional Name: (2R)-1-[(3aR,8aS)-6-formimidoyl-1,3,3a,4,5,7,8,8a-octahydropyrrol[3,4-d]azepin-2-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-ethanone hydrochloride Formula: C22H30ClF2N3O2 MolecularWeight: 441.942306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1C(C2=CC=CC=C2)(C(=O)N3CC4CCN(CCC4C3)C=N)O)(F)F.Cl

Isomeric SMILES

C1CC(C[C@@H]1[C@@](C2=CC=CC=C2)(C(=O)N3C[C@H]4CCN(CC[C@H]4C3)C=N)O)(F)F.Cl

InChI

InChI=1S/C22H29F2N3O2.ClH/c23-21(24)9-6-19(12-21)22(29,18-4-2-1-3-5-18)20(28)27-13-16-7-10-26(15-25)11-8-17(16)14-27;/h1-5,15-17,19,25,29H,6-14H2;1H/t16-,17+,19-,22+;/m1./s1