1-(2-chlorophenyl)-3-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)urea

Systemtic Name: 1-(2-chlorophenyl)-3-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)urea Openeye Name: 1-(2-chlorophenyl)-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)urea CAS Name: 1-(2-chlorophenyl)-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)urea IUPAC Name: 1-(2-chlorophenyl)-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)urea Traditional Name: 1-(2-chlorophenyl)-3-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)urea Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3Cl)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C21H24ClN3O3/c1-4-11-25-17-10-9-14(12-18(17)28-13-21(2,3)19(25)26)23-20(27)24-16-8-6-5-7-15(16)22/h5-10,12H,4,11,13H2,1-3H3,(H2,23,24,27)