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

Systemtic Name: 1-(4-tert-butylphenyl)-3-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(4-tert-butylphenyl)-3-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(C)(C)C)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(C)(C)C)OCC(C1=O)(C)C

InChI

InChI=1S/C27H37N3O3/c1-18(2)14-15-30-22-16-21(12-13-23(22)33-17-27(6,7)24(30)31)29-25(32)28-20-10-8-19(9-11-20)26(3,4)5/h8-13,16,18H,14-15,17H2,1-7H3,(H2,28,29,32)