1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-3-[(4-methoxyphenyl)methyl]urea

Systemtic Name: 1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-3-[(4-methoxyphenyl)methyl]urea Openeye Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-[(4-methoxyphenyl)methyl]urea CAS Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-[(4-methoxyphenyl)methyl]urea IUPAC Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-[(4-methoxyphenyl)methyl]urea Traditional Name: 1-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-p-anisyl-urea Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)OC)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)OC)OCC(C1=O)(C)C

InChI

InChI=1S/C22H27N3O4/c1-5-25-18-11-8-16(12-19(18)29-14-22(2,3)20(25)26)24-21(27)23-13-15-6-9-17(28-4)10-7-15/h6-12H,5,13-14H2,1-4H3,(H2,23,24,27)