1-(4-tert-butylphenyl)-3-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)urea Openeye Name: 1-(4-tert-butylphenyl)-3-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)urea CAS Name: 1-(4-tert-butylphenyl)-3-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)urea IUPAC Name: 1-(4-tert-butylphenyl)-3-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)urea Traditional Name: 1-(4-tert-butylphenyl)-3-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)urea Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(C)(C)C)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(C)(C)C)C(=O)N2C

InChI

InChI=1S/C26H27N3O3/c1-16-6-12-23-21(14-16)29(5)24(30)20-15-19(11-13-22(20)32-23)28-25(31)27-18-9-7-17(8-10-18)26(2,3)4/h6-15H,1-5H3,(H2,27,28,31)