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

Systemtic Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-(2-methylphenyl)urea Openeye Name: 1-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(o-tolyl)urea CAS Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(2-methylphenyl)urea IUPAC Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(2-methylphenyl)urea Traditional Name: 1-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(o-tolyl)urea Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C

InChI

InChI=1S/C24H31N3O3/c1-16(2)12-13-27-20-14-18(10-11-21(20)30-15-24(4,5)22(27)28)25-23(29)26-19-9-7-6-8-17(19)3/h6-11,14,16H,12-13,15H2,1-5H3,(H2,25,26,29)