4-(pyridin-3-ylmethylamino)-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: 4-(pyridin-3-ylmethylamino)-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: 4-(3-pyridylmethylamino)-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(3-pyridinylmethylamino)-8-(trifluoromethyl)-3-quinolinecarboxylate IUPAC Name: 4-(pyridin-3-ylmethylamino)-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(3-pyridylmethylamino)-8-(trifluoromethyl)quinoline-3-carboxylate Formula: C17H11F3N3O2- MolecularWeight: 346.28335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN=C2C(=C1)C(F)(F)F)C(=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

C1=CC2=C(C(=CN=C2C(=C1)C(F)(F)F)C(=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C17H12F3N3O2/c18-17(19,20)13-5-1-4-11-14(12(16(24)25)9-23-15(11)13)22-8-10-3-2-6-21-7-10/h1-7,9H,8H2,(H,22,23)(H,24,25)/p-1