1-[[2,2-dimethyl-4-(3-oxidanylidene-1H-isoindol-2-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-methyl-urea

Systemtic Name: 1-[[2,2-dimethyl-4-(3-oxidanylidene-1H-isoindol-2-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-methyl-urea Openeye Name: 1-[[2,2-dimethyl-4-(1-oxoisoindolin-2-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-methyl-urea CAS Name: 1-[[2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)-6-(trifluoromethyl)-1-benzopyran-3-yl]methyl]-3-methylurea IUPAC Name: 1-[[2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-methylurea Traditional Name: 1-[[4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)chromen-3-yl]methyl]-3-methyl-urea Formula: C23H22F3N3O3 MolecularWeight: 445.43429

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)C(F)(F)F)N3CC4=CC=CC=C4C3=O)CNC(=O)NC)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)C(F)(F)F)N3CC4=CC=CC=C4C3=O)CNC(=O)NC)C

InChI

InChI=1S/C23H22F3N3O3/c1-22(2)17(11-28-21(31)27-3)19(29-12-13-6-4-5-7-15(13)20(29)30)16-10-14(23(24,25)26)8-9-18(16)32-22/h4-10H,11-12H2,1-3H3,(H2,27,28,31)