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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-[(4-chlorophenyl)methyl]-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(4-chlorobenzyl)-3-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C21H24ClN3O3 MolecularWeight: 401.88656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)Cl)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)Cl)OCC(C1=O)(C)C

InChI

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