1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-[3-(trifluoromethyl)phenyl]urea Formula: C22H24F3N3O3 MolecularWeight: 435.43947

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)OCC(C1=O)(C)C

InChI

InChI=1S/C22H24F3N3O3/c1-4-10-28-17-9-8-16(12-18(17)31-13-21(2,3)19(28)29)27-20(30)26-15-7-5-6-14(11-15)22(23,24)25/h5-9,11-12H,4,10,13H2,1-3H3,(H2,26,27,30)