1-cyclohexyl-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]urea

Systemtic Name: 1-cyclohexyl-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]urea Openeye Name: 1-cyclohexyl-3-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)urea CAS Name: 1-cyclohexyl-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]urea IUPAC Name: 1-cyclohexyl-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]urea Traditional Name: 1-cyclohexyl-3-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)urea Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)NC3CCCCC3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)NC3CCCCC3)OCC(C1=O)(C)C

InChI

InChI=1S/C22H33N3O3/c1-15(2)13-25-18-11-10-17(12-19(18)28-14-22(3,4)20(25)26)24-21(27)23-16-8-6-5-7-9-16/h10-12,15-16H,5-9,13-14H2,1-4H3,(H2,23,24,27)