7-chloranyl-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-5H-4,1-benzoxazepin-2-one

Systemtic Name: 7-chloranyl-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-5H-4,1-benzoxazepin-2-one Openeye Name: 7-chloro-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-3-(2-morpholino-2-oxo-ethyl)-5H-4,1-benzoxazepin-2-one CAS Name: 7-chloro-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-3-[2-(4-morpholinyl)-2-oxoethyl]-5H-4,1-benzoxazepin-2-one IUPAC Name: 7-chloro-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-3-(2-morpholin-4-yl-2-oxoethyl)-5H-4,1-benzoxazepin-2-one Traditional Name: 7-chloro-3-(2-keto-2-morpholino-ethyl)-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-1-neopentyl-5H-4,1-benzoxazepin-2-one Formula: C39H50ClN3O6 MolecularWeight: 692.2838

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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)N3CCOCC3)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)N3CCOCC3)C4=C(C(=CC=C4)OCCCNCCCC5=CC=CC=C5)OC

InChI

InChI=1S/C39H50ClN3O6/c1-39(2,3)27-43-32-17-16-29(40)25-31(32)36(49-34(38(43)45)26-35(44)42-20-23-47-24-21-42)30-14-8-15-33(37(30)46-4)48-22-10-19-41-18-9-13-28-11-6-5-7-12-28/h5-8,11-12,14-17,25,34,36,41H,9-10,13,18-24,26-27H2,1-4H3