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

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]urea CAS Name: 1-[4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]urea Traditional Name: 1-benzyl-3-[4-(4-chlorobenzyl)-3-keto-2-methyl-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)NCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

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