2-phenyl-2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,5,3-benzodioxazepin-4-amine

Systemtic Name: 2-phenyl-2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,5,3-benzodioxazepin-4-amine Openeye Name: 2-phenyl-2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,5,3-benzodioxazepin-4-amine CAS Name: 2-phenyl-2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,5,3-benzodioxazepin-4-amine IUPAC Name: 2-phenyl-2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,5,3-benzodioxazepin-4-amine Traditional Name: mesityl-[2-phenyl-2-(trifluoromethyl)-1,5,3-benzodioxazepin-4-yl]amine Formula: C24H21F3N2O2 MolecularWeight: 426.43095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NC(OC3=CC=CC=C3O2)(C4=CC=CC=C4)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NC(OC3=CC=CC=C3O2)(C4=CC=CC=C4)C(F)(F)F)C

InChI

InChI=1S/C24H21F3N2O2/c1-15-13-16(2)21(17(3)14-15)28-22-29-23(24(25,26)27,18-9-5-4-6-10-18)31-20-12-8-7-11-19(20)30-22/h4-14H,1-3H3,(H,28,29)