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

Systemtic Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-(3,5-dimethylphenyl)urea Openeye Name: 1-(3,5-dimethylphenyl)-3-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)urea CAS Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-(3,5-dimethylphenyl)urea IUPAC Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-(3,5-dimethylphenyl)urea Traditional Name: 1-(3,5-dimethylphenyl)-3-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)urea Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C)C

InChI

InChI=1S/C24H31N3O3/c1-15(2)13-27-20-8-7-18(12-21(20)30-14-24(5,6)22(27)28)25-23(29)26-19-10-16(3)9-17(4)11-19/h7-12,15H,13-14H2,1-6H3,(H2,25,26,29)