tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-fluoranyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-fluoranyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-fluoro-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-fluoro-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-fluoro-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-7-fluoro-1-keto-2-neopentyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C24H35FN2O4 MolecularWeight: 434.544103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)F)CC(C)(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)F)CC(C)(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C24H35FN2O4/c1-8-9-12-30-20-17-11-10-16(25)13-18(17)21(28)27(15-23(2,3)4)19(20)14-26-22(29)31-24(5,6)7/h10-11,13H,8-9,12,14-15H2,1-7H3,(H,26,29)