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

Systemtic Name: tert-butyl N-[[6-aminocarbonyl-4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-carbamoyl-4-(2-fluorophenyl)-2-isobutyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-carbamoyl-4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-carbamoyl-4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-carbamoyl-4-(2-fluorophenyl)-2-isobutyl-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C26H30FN3O4 MolecularWeight: 467.532503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H30FN3O4/c1-15(2)14-30-21(13-29-25(33)34-26(3,4)5)22(18-8-6-7-9-20(18)27)19-12-16(23(28)31)10-11-17(19)24(30)32/h6-12,15H,13-14H2,1-5H3,(H2,28,31)(H,29,33)