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

Systemtic Name: 1-(4-butoxyphenyl)-3-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-(4-butoxyphenyl)-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(4-butoxyphenyl)-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-(4-butoxyphenyl)-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(4-butoxyphenyl)-3-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC)(C)C

InChI

InChI=1S/C24H31N3O4/c1-5-7-14-30-19-11-8-17(9-12-19)25-23(29)26-18-10-13-21-20(15-18)27(6-2)22(28)24(3,4)16-31-21/h8-13,15H,5-7,14,16H2,1-4H3,(H2,25,26,29)