N-isoquinolin-5-yl-6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

Systemtic Name: N-isoquinolin-5-yl-6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Openeye Name: N-(5-isoquinolyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide CAS Name: N-(5-isoquinolinyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: N-isoquinolin-5-yl-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Traditional Name: N-(5-isoquinolyl)-4-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Formula: C22H15F3N4O2 MolecularWeight: 424.37531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H15F3N4O2/c1-13-10-19(30)20(28-29(13)16-6-3-5-15(11-16)22(23,24)25)21(31)27-18-7-2-4-14-12-26-9-8-17(14)18/h2-12H,1H3,(H,27,31)