N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-phenoxy-benzamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-phenoxy-benzamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-phenoxy-benzamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-phenoxybenzamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-phenoxybenzamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-4-phenoxy-benzamide Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OCC(C1=O)(C)C

InChI

InChI=1S/C28H30N2O4/c1-19(2)17-30-24-16-21(12-15-25(24)33-18-28(3,4)27(30)32)29-26(31)20-10-13-23(14-11-20)34-22-8-6-5-7-9-22/h5-16,19H,17-18H2,1-4H3,(H,29,31)