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

Systemtic Name: 2-[3,3-bis(fluoranyl)cyclopentyl]-1-[6-(iminomethyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-2-oxidanyl-2-phenyl-ethanone Openeye Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-1-(6-methanimidoyl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl)-2-phenyl-ethanone CAS Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-1-(6-methanimidoyl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl)-2-phenylethanone IUPAC Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-1-(6-methanimidoyl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl)-2-phenylethanone Traditional Name: 2-(3,3-difluorocyclopentyl)-1-(6-formimidoyl-1,3,3a,4,5,7,8,8a-octahydropyrrol[3,4-d]azepin-2-yl)-2-hydroxy-2-phenyl-ethanone Formula: C22H29F2N3O2 MolecularWeight: 405.481366

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H29F2N3O2/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