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

Systemtic Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-(3,4-dimethylphenyl)urea Openeye Name: 1-(3,4-dimethylphenyl)-3-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)urea CAS Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-(3,4-dimethylphenyl)urea IUPAC Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-(3,4-dimethylphenyl)urea Traditional Name: 1-(3,4-dimethylphenyl)-3-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)urea Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-16(2)11-12-28-21-10-9-20(14-22(21)31-15-25(5,6)23(28)29)27-24(30)26-19-8-7-17(3)18(4)13-19/h7-10,13-14,16H,11-12,15H2,1-6H3,(H2,26,27,30)