4-(pyridin-3-ylmethylamino)-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride

Systemtic Name: 4-(pyridin-3-ylmethylamino)-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride Openeye Name: 4-(3-pyridylmethylamino)-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride CAS Name: 4-(3-pyridinylmethylamino)-8-(trifluoromethyl)-3-quinolinecarboxylic acid hydrochloride IUPAC Name: 4-(pyridin-3-ylmethylamino)-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride Traditional Name: 4-(3-pyridylmethylamino)-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride Formula: C17H13ClF3N3O2 MolecularWeight: 383.75223

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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.Cl

Isomeric SMILES

C1=CC2=C(C(=CN=C2C(=C1)C(F)(F)F)C(=O)O)NCC3=CN=CC=C3.Cl

InChI

InChI=1S/C17H12F3N3O2.ClH/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);1H