2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methyl]-7-[3-(4H-1,2,3-triazol-4-yl)prop-1-ynyl]isoquinolin-3-one

Systemtic Name: 2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methyl]-7-[3-(4H-1,2,3-triazol-4-yl)prop-1-ynyl]isoquinolin-3-one Openeye Name: 2-[(3,5-difluoro-4-hydroxy-phenyl)methyl]-7-[3-(4H-triazol-4-yl)prop-1-ynyl]isoquinolin-3-one CAS Name: 2-[(3,5-difluoro-4-hydroxyphenyl)methyl]-7-[3-(4H-triazol-4-yl)prop-1-ynyl]-3-isoquinolinone IUPAC Name: 2-[(3,5-difluoro-4-hydroxyphenyl)methyl]-7-[3-(4H-triazol-4-yl)prop-1-ynyl]isoquinolin-3-one Traditional Name: 2-(3,5-difluoro-4-hydroxy-benzyl)-7-[3-(4H-triazol-4-yl)prop-1-ynyl]-3-isoquinolone Formula: C21H14F2N4O2 MolecularWeight: 392.358266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=O)N(C=C2C=C1C#CCC3C=NN=N3)CC4=CC(=C(C(=C4)F)O)F

Isomeric SMILES

C1=CC2=CC(=O)N(C=C2C=C1C#CCC3C=NN=N3)CC4=CC(=C(C(=C4)F)O)F

InChI

InChI=1S/C21H14F2N4O2/c22-18-7-14(8-19(23)21(18)29)11-27-12-16-6-13(4-5-15(16)9-20(27)28)2-1-3-17-10-24-26-25-17/h4-10,12,17,29H,3,11H2