(2S)-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-[(2R,3S)-7-chloranyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]propanamide

Systemtic Name: (2S)-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-[(2R,3S)-7-chloranyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]propanamide Openeye Name: (2S)-N-[(2R,3S)-7-chloro-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide CAS Name: (2S)-N-[(2R,3S)-7-chloro-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-[(2R,3S)-7-chloro-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide Traditional Name: (2S)-N-[(2R,3S)-7-chloro-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propionamide Formula: C26H22ClF2N3O4 MolecularWeight: 513.920386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(OC2=C(C=C(C=C2)Cl)NC1=O)C3=CC=CC=C3)NC(=O)CC4=CC(=CC(=C4)F)F

Isomeric SMILES

C[C@@H](C(=O)N[C@H]1[C@H](OC2=C(C=C(C=C2)Cl)NC1=O)C3=CC=CC=C3)NC(=O)CC4=CC(=CC(=C4)F)F

InChI

InChI=1S/C26H22ClF2N3O4/c1-14(30-22(33)11-15-9-18(28)13-19(29)10-15)25(34)32-23-24(16-5-3-2-4-6-16)36-21-8-7-17(27)12-20(21)31-26(23)35/h2-10,12-14,23-24H,11H2,1H3,(H,30,33)(H,31,35)(H,32,34)/t14-,23-,24+/m0/s1