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

Systemtic Name: [4-(4-cyano-2-methyl-phenyl)-3-ethanoyl-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-acetyl-4-(4-cyano-2-methyl-phenyl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-acetyl-4-(4-cyano-2-methylphenyl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ester IUPAC Name: [3-acetyl-4-(4-cyano-2-methylphenyl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-acetyl-4-(4-cyano-2-methyl-phenyl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ester Formula: C20H16F3N3O4S MolecularWeight: 451.41895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)C2C3=C(C=CN=C3OS(=O)(=O)C(F)(F)F)NC(=C2C(=O)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)C2C3=C(C=CN=C3OS(=O)(=O)C(F)(F)F)NC(=C2C(=O)C)C

InChI

InChI=1S/C20H16F3N3O4S/c1-10-8-13(9-24)4-5-14(10)17-16(12(3)27)11(2)26-15-6-7-25-19(18(15)17)30-31(28,29)20(21,22)23/h4-8,17,26H,1-3H3