5-azanyl-N-isoquinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 5-azanyl-N-isoquinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 5-amino-N-(5-isoquinolyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide CAS Name: 5-amino-N-(5-isoquinolinyl)-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 5-amino-N-isoquinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 5-amino-N-(5-isoquinolyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Formula: C20H14F3N5O MolecularWeight: 397.35327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=CC(=N2)C(=O)NC3=CC=CC4=C3C=CN=C4)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=CC(=N2)C(=O)NC3=CC=CC4=C3C=CN=C4)N)C(F)(F)F

InChI

InChI=1S/C20H14F3N5O/c21-20(22,23)13-4-2-5-14(9-13)28-18(24)10-17(27-28)19(29)26-16-6-1-3-12-11-25-8-7-15(12)16/h1-11H,24H2,(H,26,29)