1-tert-butyl-3-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]urea

Systemtic Name: 1-tert-butyl-3-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]urea Openeye Name: 1-tert-butyl-3-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-tert-butyl-3-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea IUPAC Name: 1-tert-butyl-3-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea Traditional Name: 1-tert-butyl-3-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NC(C)(C)C)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NC(C)(C)C)OCC(C1=O)(C)C

InChI

InChI=1S/C21H33N3O3/c1-14(2)10-11-24-16-12-15(22-19(26)23-20(3,4)5)8-9-17(16)27-13-21(6,7)18(24)25/h8-9,12,14H,10-11,13H2,1-7H3,(H2,22,23,26)