3-[4-[(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[4-[(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-5-(trifluoromethyl)-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Formula: C18H14F3N5O3 MolecularWeight: 405.33067

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)O)C(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)O)C(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C(F)(F)F

InChI

InChI=1S/C18H14F3N5O3/c19-18(20,21)16-13(8-22-26(16)14-3-4-15(28)24-23-14)17(29)25-6-5-10-1-2-12(27)7-11(10)9-25/h1-4,7-8,27H,5-6,9H2,(H,24,28)