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

Systemtic Name: 1-cyclohexyl-3-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]urea Openeye Name: 1-cyclohexyl-3-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-cyclohexyl-3-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea IUPAC Name: 1-cyclohexyl-3-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea Traditional Name: 1-cyclohexyl-3-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NC3CCCCC3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NC3CCCCC3)OCC(C1=O)(C)C

InChI

InChI=1S/C23H35N3O3/c1-16(2)12-13-26-19-14-18(25-22(28)24-17-8-6-5-7-9-17)10-11-20(19)29-15-23(3,4)21(26)27/h10-11,14,16-17H,5-9,12-13,15H2,1-4H3,(H2,24,25,28)