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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-[2-(trifluoromethyl)phenyl]urea Formula: C22H22F3N3O3 MolecularWeight: 433.42359

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3C(F)(F)F)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3C(F)(F)F)N(C1=O)CC=C)C

InChI

InChI=1S/C22H22F3N3O3/c1-4-11-28-17-10-9-14(12-18(17)31-13-21(2,3)19(28)29)26-20(30)27-16-8-6-5-7-15(16)22(23,24)25/h4-10,12H,1,11,13H2,2-3H3,(H2,26,27,30)