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

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)-5-propyl-N-[2-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-(1-amino-7-isoquinolyl)-5-propyl-N-[2-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(1-amino-7-isoquinolinyl)-5-propyl-N-[2-(2-sulfamoylphenyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)-5-propyl-N-[2-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(1-amino-7-isoquinolyl)-5-propyl-N-[2-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Formula: C28H26N6O3S MolecularWeight: 526.60944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3S(=O)(=O)N)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3S(=O)(=O)N)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C28H26N6O3S/c1-2-7-19-16-25(34(33-19)20-13-12-18-14-15-31-27(29)23(18)17-20)28(35)32-24-10-5-3-8-21(24)22-9-4-6-11-26(22)38(30,36)37/h3-6,8-17H,2,7H2,1H3,(H2,29,31)(H,32,35)(H2,30,36,37)