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

Systemtic Name: 2-[7-chloranyl-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[7-chloro-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetamide CAS Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[7-chloro-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetamide Traditional Name: N-benzyl-2-[7-chloro-2-keto-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetamide Formula: C42H50ClN3O5 MolecularWeight: 712.3165

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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=C3)C4=C(C(=CC=C4)OCCCNCCCC5=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=C3)C4=C(C(=CC=C4)OCCCNCCCC5=CC=CC=C5)OC

InChI

InChI=1S/C42H50ClN3O5/c1-42(2,3)29-46-35-22-21-32(43)26-34(35)39(51-37(41(46)48)27-38(47)45-28-31-16-9-6-10-17-31)33-19-11-20-36(40(33)49-4)50-25-13-24-44-23-12-18-30-14-7-5-8-15-30/h5-11,14-17,19-22,26,37,39,44H,12-13,18,23-25,27-29H2,1-4H3,(H,45,47)