1-(5-chloranyl-2-methoxy-phenyl)-3-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)urea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)Cl)OC)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)Cl)OC)OCC(C1=O)(C)C

InChI

InChI=1S/C22H26ClN3O4/c1-5-10-26-17-12-15(7-9-19(17)30-13-22(2,3)20(26)27)24-21(28)25-16-11-14(23)6-8-18(16)29-4/h6-9,11-12H,5,10,13H2,1-4H3,(H2,24,25,28)