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

Systemtic Name: 1-(3-chlorophenyl)-3-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-(3-chlorophenyl)-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(3-chlorophenyl)-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-(3-chlorophenyl)-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(3-chlorophenyl)-3-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)Cl)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C20H22ClN3O3/c1-4-24-16-11-15(8-9-17(16)27-12-20(2,3)18(24)25)23-19(26)22-14-7-5-6-13(21)10-14/h5-11H,4,12H2,1-3H3,(H2,22,23,26)