[4-(4-cyanophenyl)-3-ethanoyl-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(4-cyanophenyl)-3-ethanoyl-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-acetyl-4-(4-cyanophenyl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-acetyl-4-(4-cyanophenyl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ester IUPAC Name: [3-acetyl-4-(4-cyanophenyl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-acetyl-4-(4-cyanophenyl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ester Formula: C19H14F3N3O4S MolecularWeight: 437.39237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)C=CN=C2OS(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C(C2=C(N1)C=CN=C2OS(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)C#N)C(=O)C

InChI

InChI=1S/C19H14F3N3O4S/c1-10-15(11(2)26)16(13-5-3-12(9-23)4-6-13)17-14(25-10)7-8-24-18(17)29-30(27,28)19(20,21)22/h3-8,16,25H,1-2H3