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

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)-5-ethyl-N-[2-fluoranyl-6-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-(1-amino-7-isoquinolyl)-5-ethyl-N-[2-fluoro-6-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(1-amino-7-isoquinolinyl)-5-ethyl-N-[2-fluoro-6-(2-sulfamoylphenyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)-5-ethyl-N-[2-fluoro-6-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(1-amino-7-isoquinolyl)-5-ethyl-N-[2-fluoro-6-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Formula: C27H23FN6O3S MolecularWeight: 530.573323

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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)N)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)N)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C27H23FN6O3S/c1-2-17-14-23(34(33-17)18-11-10-16-12-13-31-26(29)21(16)15-18)27(35)32-25-20(7-5-8-22(25)28)19-6-3-4-9-24(19)38(30,36)37/h3-15H,2H2,1H3,(H2,29,31)(H,32,35)(H2,30,36,37)