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

Systemtic Name: tert-butyl N-[[6-cyano-4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-cyano-4-(2-fluorophenyl)-2-isobutyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-cyano-4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-cyano-4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-cyano-4-(2-fluorophenyl)-2-isobutyl-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C26H28FN3O3 MolecularWeight: 449.517223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C#N)C3=CC=CC=C3F)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C#N)C3=CC=CC=C3F)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C26H28FN3O3/c1-16(2)15-30-22(14-29-25(32)33-26(3,4)5)23(19-8-6-7-9-21(19)27)20-12-17(13-28)10-11-18(20)24(30)31/h6-12,16H,14-15H2,1-5H3,(H,29,32)