4-[(4-pyrrolidin-1-ylphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: 4-[(4-pyrrolidin-1-ylphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: 4-(4-pyrrolidin-1-ylanilino)-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[4-(1-pyrrolidinyl)anilino]-8-(trifluoromethyl)-3-quinolinecarboxylate IUPAC Name: 4-(4-pyrrolidin-1-ylanilino)-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-pyrrolidinoanilino)-8-(trifluoromethyl)quinoline-3-carboxylate Formula: C21H17F3N3O2- MolecularWeight: 400.37379

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC=C3C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC=C3C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H18F3N3O2/c22-21(23,24)17-5-3-4-15-18(16(20(28)29)12-25-19(15)17)26-13-6-8-14(9-7-13)27-10-1-2-11-27/h3-9,12H,1-2,10-11H2,(H,25,26)(H,28,29)/p-1