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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]urea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]urea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)Cl)OC)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)Cl)OC)OCC(C1=O)(C)C

InChI

InChI=1S/C23H28ClN3O4/c1-14(2)12-27-18-11-16(7-9-20(18)31-13-23(3,4)21(27)28)25-22(29)26-17-10-15(24)6-8-19(17)30-5/h6-11,14H,12-13H2,1-5H3,(H2,25,26,29)