2-[7-chloranyl-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[2-(3-phenylpropylamino)ethoxy]phenyl]-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[7-chloranyl-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[2-(3-phenylpropylamino)ethoxy]phenyl]-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]ethanamide Openeye Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[2-(3-phenylpropylamino)ethoxy]phenyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide CAS Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[2-(3-phenylpropylamino)ethoxy]phenyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide IUPAC Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[2-(3-phenylpropylamino)ethoxy]phenyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide Traditional Name: 2-[7-chloro-2-keto-5-[2-methoxy-3-[2-(3-phenylpropylamino)ethoxy]phenyl]-1-neopentyl-5H-4,1-benzoxazepin-3-yl]-N-(2-fluorobenzyl)acetamide Formula: C41H47ClFN3O5 MolecularWeight: 716.280383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCC3=CC=CC=C3F)C4=C(C(=CC=C4)OCCNCCCC5=CC=CC=C5)OC

Isomeric SMILES

CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCC3=CC=CC=C3F)C4=C(C(=CC=C4)OCCNCCCC5=CC=CC=C5)OC

InChI

InChI=1S/C41H47ClFN3O5/c1-41(2,3)27-46-34-20-19-30(42)24-32(34)38(51-36(40(46)48)25-37(47)45-26-29-15-8-9-17-33(29)43)31-16-10-18-35(39(31)49-4)50-23-22-44-21-11-14-28-12-6-5-7-13-28/h5-10,12-13,15-20,24,36,38,44H,11,14,21-23,25-27H2,1-4H3,(H,45,47)