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

Systemtic Name: 1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-benzyl-3-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-4-24-17-12-16(10-11-18(17)27-14-21(2,3)19(24)25)23-20(26)22-13-15-8-6-5-7-9-15/h5-12H,4,13-14H2,1-3H3,(H2,22,23,26)