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

Systemtic Name: 1-(4-butan-2-yl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-3-(3-chlorophenyl)urea Openeye Name: 1-(3-chlorophenyl)-3-(2-methyl-3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)urea CAS Name: 1-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(3-chlorophenyl)urea IUPAC Name: 1-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(3-chlorophenyl)urea Traditional Name: 1-(3-chlorophenyl)-3-(3-keto-2-methyl-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)urea Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)Cl)OC(C1=O)C

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)Cl)OC(C1=O)C

InChI

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