N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]adamantane-1-carboxamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]adamantane-1-carboxamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)adamantane-1-carboxamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1-adamantanecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]adamantane-1-carboxamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)adamantane-1-carboxamide Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)OCC(C1=O)(C)C

InChI

InChI=1S/C26H36N2O3/c1-16(2)14-28-21-6-5-20(10-22(21)31-15-25(3,4)24(28)30)27-23(29)26-11-17-7-18(12-26)9-19(8-17)13-26/h5-6,10,16-19H,7-9,11-15H2,1-4H3,(H,27,29)