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

Systemtic Name: tert-butyl N-[[6-chloranyl-4-(4-fluorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-chloro-4-(4-fluorophenyl)-2-methyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-chloro-4-(4-fluorophenyl)-2-methyl-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-chloro-4-(4-fluorophenyl)-2-methyl-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-chloro-4-(4-fluorophenyl)-1-keto-2-methyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C22H22ClFN2O3 MolecularWeight: 416.873083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22ClFN2O3/c1-22(2,3)29-21(28)25-12-18-19(13-5-8-15(24)9-6-13)17-11-14(23)7-10-16(17)20(27)26(18)4/h5-11H,12H2,1-4H3,(H,25,28)