2-(1-azanylisoquinolin-7-yl)-5-ethyl-N-[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)-5-ethyl-N-[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-(1-amino-7-isoquinolyl)-5-ethyl-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(1-amino-7-isoquinolinyl)-5-ethyl-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)-5-ethyl-N-[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(1-amino-7-isoquinolyl)-5-ethyl-N-[2-fluoro-6-(2-mesylphenyl)phenyl]pyrazole-3-carboxamide Formula: C28H24FN5O3S MolecularWeight: 529.585263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)NC2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)C)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)NC2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)C)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C28H24FN5O3S/c1-3-18-15-24(34(33-18)19-12-11-17-13-14-31-27(30)22(17)16-19)28(35)32-26-21(8-6-9-23(26)29)20-7-4-5-10-25(20)38(2,36)37/h4-16H,3H2,1-2H3,(H2,30,31)(H,32,35)