2-[7-chloranyl-1-(2,2-dimethylpropyl)-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]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]ethanamide Openeye 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]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]acetamide IUPAC 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]acetamide Traditional Name: 2-[7-chloro-2-keto-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetamide Formula: C35H44ClN3O5 MolecularWeight: 622.19396

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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)N)C3=C(C(=CC=C3)OCCCNCCCC4=CC=CC=C4)OC

Isomeric SMILES

CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N)C3=C(C(=CC=C3)OCCCNCCCC4=CC=CC=C4)OC

InChI

InChI=1S/C35H44ClN3O5/c1-35(2,3)23-39-28-17-16-25(36)21-27(28)32(44-30(34(39)41)22-31(37)40)26-14-8-15-29(33(26)42-4)43-20-10-19-38-18-9-13-24-11-6-5-7-12-24/h5-8,11-12,14-17,21,30,32,38H,9-10,13,18-20,22-23H2,1-4H3,(H2,37,40)