1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea

Systemtic Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea Openeye Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)urea IUPAC Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea Traditional Name: 1-[3,5-bis(trifluoromethyl)benzyl]-3-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)-1-methyl-urea Formula: C29H25F6N3O2 MolecularWeight: 561.518119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4)C

InChI

InChI=1S/C29H25F6N3O2/c1-16-10-22-23(11-17(16)2)26(39)38(4)25(24(22)19-8-6-5-7-9-19)36-27(40)37(3)15-18-12-20(28(30,31)32)14-21(13-18)29(33,34)35/h5-14H,15H2,1-4H3,(H,36,40)