[6-chloranyl-2-methyl-1-oxidanylidene-4-[4-(trifluoromethyl)phenyl]isoquinolin-3-yl] N-tert-butyl-N-methyl-carbamate

Systemtic Name: [6-chloranyl-2-methyl-1-oxidanylidene-4-[4-(trifluoromethyl)phenyl]isoquinolin-3-yl] N-tert-butyl-N-methyl-carbamate Openeye Name: [6-chloro-2-methyl-1-oxo-4-[4-(trifluoromethyl)phenyl]-3-isoquinolyl] N-tert-butyl-N-methyl-carbamate CAS Name: N-tert-butyl-N-methylcarbamic acid [6-chloro-2-methyl-1-oxo-4-[4-(trifluoromethyl)phenyl]-3-isoquinolinyl] ester IUPAC Name: [6-chloro-2-methyl-1-oxo-4-[4-(trifluoromethyl)phenyl]isoquinolin-3-yl] N-tert-butyl-N-methylcarbamate Traditional Name: N-tert-butyl-N-methyl-carbamic acid [6-chloro-1-keto-2-methyl-4-[4-(trifluoromethyl)phenyl]-3-isoquinolyl] ester Formula: C23H22ClF3N2O3 MolecularWeight: 466.88059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C)C(=O)OC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)N(C)C(=O)OC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H22ClF3N2O3/c1-22(2,3)29(5)21(31)32-20-18(13-6-8-14(9-7-13)23(25,26)27)17-12-15(24)10-11-16(17)19(30)28(20)4/h6-12H,1-5H3