2-ethyl-6-[1-(2-fluoranylpyridin-3-yl)-5-methyl-1,2,3-triazol-4-yl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-ethyl-6-[1-(2-fluoranylpyridin-3-yl)-5-methyl-1,2,3-triazol-4-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-ethyl-6-[1-(2-fluoro-3-pyridyl)-5-methyl-triazol-4-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-ethyl-6-[1-(2-fluoro-3-pyridinyl)-5-methyl-4-triazolyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-ethyl-6-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-ethyl-6-[1-(2-fluoro-3-pyridyl)-5-methyl-triazol-4-yl]-3,4-dihydroisocarbostyril Formula: C19H18FN5O MolecularWeight: 351.377523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1=O)C=CC(=C2)C3=C(N(N=N3)C4=C(N=CC=C4)F)C

Isomeric SMILES

CCN1CCC2=C(C1=O)C=CC(=C2)C3=C(N(N=N3)C4=C(N=CC=C4)F)C

InChI

InChI=1S/C19H18FN5O/c1-3-24-10-8-13-11-14(6-7-15(13)19(24)26)17-12(2)25(23-22-17)16-5-4-9-21-18(16)20/h4-7,9,11H,3,8,10H2,1-2H3