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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)urea Openeye Name: 1-(4-tert-butylphenyl)-3-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)urea CAS Name: 1-(4-tert-butylphenyl)-3-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)urea IUPAC Name: 1-(4-tert-butylphenyl)-3-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)urea Traditional Name: 1-(4-tert-butylphenyl)-3-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)urea Formula: C25H25N3O3 MolecularWeight: 415.4843

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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)N2

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)N2

InChI

InChI=1S/C25H25N3O3/c1-15-5-11-22-20(13-15)28-23(29)19-14-18(10-12-21(19)31-22)27-24(30)26-17-8-6-16(7-9-17)25(2,3)4/h5-14H,1-4H3,(H,28,29)(H2,26,27,30)