N-(5-bromanyl-2-piperazin-1-yl-phenyl)quinoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-(5-bromanyl-2-piperazin-1-yl-phenyl)quinoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(5-bromo-2-piperazin-1-yl-phenyl)quinoline-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: N-[5-bromo-2-(1-piperazinyl)phenyl]-2-quinolinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-(5-bromo-2-piperazin-1-ylphenyl)quinoline-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(5-bromo-2-piperazino-phenyl)quinaldamide; 2,2,2-trifluoroacetic acid Formula: C22H20BrF3N4O3 MolecularWeight: 525.31841

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)Br)NC(=O)C3=NC4=CC=CC=C4C=C3.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)Br)NC(=O)C3=NC4=CC=CC=C4C=C3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H19BrN4O.C2HF3O2/c21-15-6-8-19(25-11-9-22-10-12-25)18(13-15)24-20(26)17-7-5-14-3-1-2-4-16(14)23-17;3-2(4,5)1(6)7/h1-8,13,22H,9-12H2,(H,24,26);(H,6,7)