3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-N-[9-chloranyl-2,6-bis(oxidanylidene)-1H-1-benzazepin-7-yl]benzamide

Systemtic Name: 3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-N-[9-chloranyl-2,6-bis(oxidanylidene)-1H-1-benzazepin-7-yl]benzamide Openeye Name: 3-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-N-(9-chloro-2,6-dioxo-1H-1-benzazepin-7-yl)benzamide CAS Name: 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-N-(9-chloro-2,6-dioxo-1H-1-benzazepin-7-yl)benzamide IUPAC Name: 3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-N-(9-chloro-2,6-dioxo-1H-1-benzazepin-7-yl)benzamide Traditional Name: N-(9-chloro-2,6-diketo-1H-1-benzazepin-7-yl)-3-[2-(2,4-ditert-amylphenoxy)butanoylamino]benzamide Formula: C37H42ClN3O5 MolecularWeight: 644.19948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=C3C(=CC=CC(=O)N3)C2=O)Cl)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=C3C(=CC=CC(=O)N3)C2=O)Cl)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C37H42ClN3O5/c1-8-29(46-30-18-17-23(36(4,5)9-2)20-26(30)37(6,7)10-3)35(45)39-24-14-11-13-22(19-24)34(44)40-28-21-27(38)32-25(33(28)43)15-12-16-31(42)41-32/h11-21,29H,8-10H2,1-7H3,(H,39,45)(H,40,44)(H,41,42)