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

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)-N-[2-(2-methylsulfonylphenyl)phenyl]-5-propyl-pyrazole-3-carboxamide Openeye Name: 2-(1-amino-7-isoquinolyl)-N-[2-(2-methylsulfonylphenyl)phenyl]-5-propyl-pyrazole-3-carboxamide CAS Name: 2-(1-amino-7-isoquinolinyl)-N-[2-(2-methylsulfonylphenyl)phenyl]-5-propyl-3-pyrazolecarboxamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)-N-[2-(2-methylsulfonylphenyl)phenyl]-5-propylpyrazole-3-carboxamide Traditional Name: 2-(1-amino-7-isoquinolyl)-N-[2-(2-mesylphenyl)phenyl]-5-propyl-pyrazole-3-carboxamide Formula: C29H27N5O3S MolecularWeight: 525.62138

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

InChI

InChI=1S/C29H27N5O3S/c1-3-8-20-17-26(34(33-20)21-14-13-19-15-16-31-28(30)24(19)18-21)29(35)32-25-11-6-4-9-22(25)23-10-5-7-12-27(23)38(2,36)37/h4-7,9-18H,3,8H2,1-2H3,(H2,30,31)(H,32,35)