(2S)-2-[[(1S)-1-[4-[4-[2-azanyl-1,1-bis(fluoranyl)-2-oxidanylidene-ethyl]phenyl]phenyl]-2,2,2-tris(fluoranyl)ethyl]amino]-N-(1-cyanocyclopropyl)-4-fluoranyl-4-methyl-pentanamide

Systemtic Name: (2S)-2-[[(1S)-1-[4-[4-[2-azanyl-1,1-bis(fluoranyl)-2-oxidanylidene-ethyl]phenyl]phenyl]-2,2,2-tris(fluoranyl)ethyl]amino]-N-(1-cyanocyclopropyl)-4-fluoranyl-4-methyl-pentanamide Openeye Name: (2S)-2-[[(1S)-1-[4-[4-(2-amino-1,1-difluoro-2-oxo-ethyl)phenyl]phenyl]-2,2,2-trifluoro-ethyl]amino]-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-pentanamide CAS Name: (2S)-2-[[(1S)-1-[4-[4-(2-amino-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-N-(1-cyanocyclopropyl)-4-fluoro-4-methylpentanamide IUPAC Name: (2S)-2-[[(1S)-1-[4-[4-(2-amino-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-N-(1-cyanocyclopropyl)-4-fluoro-4-methylpentanamide Traditional Name: (2S)-2-[[(1S)-1-[4-[4-(2-amino-1,1-difluoro-2-keto-ethyl)phenyl]phenyl]-2,2,2-trifluoro-ethyl]amino]-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-valeramide Formula: C26H26F6N4O2 MolecularWeight: 540.500659

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)C(C(=O)N)(F)F)C(F)(F)F)F

Isomeric SMILES

CC(C)(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)C(C(=O)N)(F)F)C(F)(F)F)F

InChI

InChI=1S/C26H26F6N4O2/c1-23(2,27)13-19(21(37)36-24(14-33)11-12-24)35-20(26(30,31)32)17-5-3-15(4-6-17)16-7-9-18(10-8-16)25(28,29)22(34)38/h3-10,19-20,35H,11-13H2,1-2H3,(H2,34,38)(H,36,37)/t19-,20-/m0/s1