(2S)-2-[[(2S)-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethyl]amino]-N-(3,3,7-trimethyl-6-oxidanylidene-5,7-dihydro-4H-1-benzazepin-5-yl)propanamide

Systemtic Name: (2S)-2-[[(2S)-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethyl]amino]-N-(3,3,7-trimethyl-6-oxidanylidene-5,7-dihydro-4H-1-benzazepin-5-yl)propanamide Openeye Name: (2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxy-ethyl]amino]-N-(3,3,7-trimethyl-6-oxo-5,7-dihydro-4H-1-benzazepin-5-yl)propanamide CAS Name: (2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]-N-(3,3,7-trimethyl-6-oxo-5,7-dihydro-4H-1-benzazepin-5-yl)propanamide IUPAC Name: (2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]-N-(3,3,7-trimethyl-6-oxo-5,7-dihydro-4H-1-benzazepin-5-yl)propanamide Traditional Name: (2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxy-ethyl]amino]-N-(6-keto-3,3,7-trimethyl-5,7-dihydro-4H-1-benzazepin-5-yl)propionamide Formula: C24H29F2N3O3 MolecularWeight: 445.502166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2=C(C1=O)C(CC(C=N2)(C)C)NC(=O)C(C)NCC(C3=CC(=CC(=C3)F)F)O

Isomeric SMILES

CC1C=CC2=C(C1=O)C(CC(C=N2)(C)C)NC(=O)[C@H](C)NC[C@H](C3=CC(=CC(=C3)F)F)O

InChI

InChI=1S/C24H29F2N3O3/c1-13-5-6-18-21(22(13)31)19(10-24(3,4)12-28-18)29-23(32)14(2)27-11-20(30)15-7-16(25)9-17(26)8-15/h5-9,12-14,19-20,27,30H,10-11H2,1-4H3,(H,29,32)/t13?,14-,19?,20+/m0/s1