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

Systemtic Name: 1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea Openeye Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea CAS Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea IUPAC Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea Traditional Name: 1-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)OC)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)OC)OCC(C1=O)(C)C

InChI

InChI=1S/C21H25N3O4/c1-5-24-17-12-15(9-10-18(17)28-13-21(2,3)19(24)25)23-20(26)22-14-7-6-8-16(11-14)27-4/h6-12H,5,13H2,1-4H3,(H2,22,23,26)