2-[7-chloranyl-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[3-[3-(3-methoxyphenyl)propylamino]propoxy]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-[3-[3-(3-methoxyphenyl)propylamino]propoxy]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-[3-[3-(3-methoxyphenyl)propylamino]propoxy]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-[3-[3-(3-methoxyphenyl)propylamino]propoxy]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-[3-[3-(3-methoxyphenyl)propylamino]propoxy]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-[3-[3-(3-methoxyphenyl)propylamino]propoxy]phenyl]-1-neopentyl-5H-4,1-benzoxazepin-3-yl]-N-(2-fluorobenzyl)acetamide Formula: C43H51ClFN3O6 MolecularWeight: 760.332943

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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)OCCCNCCCC5=CC(=CC=C5)OC)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)OCCCNCCCC5=CC(=CC=C5)OC)OC

InChI

InChI=1S/C43H51ClFN3O6/c1-43(2,3)28-48-36-20-19-31(44)25-34(36)40(54-38(42(48)50)26-39(49)47-27-30-14-6-7-17-35(30)45)33-16-9-18-37(41(33)52-5)53-23-11-22-46-21-10-13-29-12-8-15-32(24-29)51-4/h6-9,12,14-20,24-25,38,40,46H,10-11,13,21-23,26-28H2,1-5H3,(H,47,49)