piperazin-1-yl-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone dihydrochloride

Systemtic Name: piperazin-1-yl-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone dihydrochloride Openeye Name: piperazin-1-yl-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenyl]methanone dihydrochloride CAS Name: 1-piperazinyl-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]phenyl]methanone dihydrochloride IUPAC Name: piperazin-1-yl-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone dihydrochloride Traditional Name: piperazino-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenyl]methanone dihydrochloride Formula: C21H21Cl2F3N4O MolecularWeight: 473.31885

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C21H19F3N4O.2ClH/c22-21(23,24)15-3-6-17-18(7-8-26-19(17)13-15)27-16-4-1-14(2-5-16)20(29)28-11-9-25-10-12-28;;/h1-8,13,25H,9-12H2,(H,26,27);2*1H