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

Systemtic Name: 1-(4-butan-2-yl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-3-(3-chlorophenyl)urea Openeye Name: 1-(3-chlorophenyl)-3-(3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)urea CAS Name: 1-(4-butan-2-yl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(3-chlorophenyl)urea IUPAC Name: 1-(4-butan-2-yl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(3-chlorophenyl)urea Traditional Name: 1-(3-chlorophenyl)-3-(3-keto-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)urea Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)Cl)OCC1=O

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)Cl)OCC1=O

InChI

InChI=1S/C20H22ClN3O3/c1-3-13(2)24-11-14-9-17(7-8-18(14)27-12-19(24)25)23-20(26)22-16-6-4-5-15(21)10-16/h4-10,13H,3,11-12H2,1-2H3,(H2,22,23,26)