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

Systemtic Name: 1-(4-butan-2-yl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-3-(3-chlorophenyl)urea Openeye Name: 1-(3-chlorophenyl)-3-(2-ethyl-3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)urea CAS Name: 1-(4-butan-2-yl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(3-chlorophenyl)urea IUPAC Name: 1-(4-butan-2-yl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(3-chlorophenyl)urea Traditional Name: 1-(3-chlorophenyl)-3-(2-ethyl-3-keto-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)urea Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(C)CC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(C)CC

InChI

InChI=1S/C22H26ClN3O3/c1-4-14(3)26-13-15-11-18(9-10-20(15)29-19(5-2)21(26)27)25-22(28)24-17-8-6-7-16(23)12-17/h6-12,14,19H,4-5,13H2,1-3H3,(H2,24,25,28)