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

Systemtic Name: 1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-3-phenethyl-urea Openeye Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-phenethyl-urea CAS Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-phenethylurea IUPAC Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-phenethylurea Traditional Name: 1-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-phenethyl-urea Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NCCC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NCCC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C22H27N3O3/c1-4-25-18-14-17(10-11-19(18)28-15-22(2,3)20(25)26)24-21(27)23-13-12-16-8-6-5-7-9-16/h5-11,14H,4,12-13,15H2,1-3H3,(H2,23,24,27)