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

Systemtic Name: 1-(4-chlorophenyl)-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]urea Openeye Name: 1-(4-chlorophenyl)-3-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(4-chlorophenyl)-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea Traditional Name: 1-(4-chlorophenyl)-3-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Cl)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C22H26ClN3O3/c1-14(2)12-26-18-11-17(9-10-19(18)29-13-22(3,4)20(26)27)25-21(28)24-16-7-5-15(23)6-8-16/h5-11,14H,12-13H2,1-4H3,(H2,24,25,28)