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

Systemtic Name: 1-(3-chlorophenyl)-3-(2-methyl-3-oxidanylidene-4-phenethyl-5H-1,4-benzoxazepin-7-yl)urea Openeye Name: 1-(3-chlorophenyl)-3-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzoxazepin-7-yl)urea CAS Name: 1-(3-chlorophenyl)-3-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzoxazepin-7-yl)urea IUPAC Name: 1-(3-chlorophenyl)-3-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzoxazepin-7-yl)urea Traditional Name: 1-(3-chlorophenyl)-3-(3-keto-2-methyl-4-phenethyl-5H-1,4-benzoxazepin-7-yl)urea Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C25H24ClN3O3/c1-17-24(30)29(13-12-18-6-3-2-4-7-18)16-19-14-22(10-11-23(19)32-17)28-25(31)27-21-9-5-8-20(26)15-21/h2-11,14-15,17H,12-13,16H2,1H3,(H2,27,28,31)