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

Systemtic Name: tert-butyl N-[[4-(3-fluorophenyl)-2-(2-methylpropyl)-6-oxidanyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-(3-fluorophenyl)-6-hydroxy-2-isobutyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-(3-fluorophenyl)-6-hydroxy-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(3-fluorophenyl)-6-hydroxy-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-(3-fluorophenyl)-6-hydroxy-2-isobutyl-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C25H29FN2O4 MolecularWeight: 440.507163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN2O4/c1-15(2)14-28-21(13-27-24(31)32-25(3,4)5)22(16-7-6-8-17(26)11-16)20-12-18(29)9-10-19(20)23(28)30/h6-12,15,29H,13-14H2,1-5H3,(H,27,31)