piperazin-1-yl-(4-pyridin-4-ylphenyl)methanone; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: piperazin-1-yl-(4-pyridin-4-ylphenyl)methanone; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: piperazin-1-yl-[4-(4-pyridyl)phenyl]methanone; 2,2,2-trifluoroacetic acid CAS Name: 1-piperazinyl-(4-pyridin-4-ylphenyl)methanone; 2,2,2-trifluoroacetic acid IUPAC Name: piperazin-1-yl-(4-pyridin-4-ylphenyl)methanone; 2,2,2-trifluoroacetic acid Traditional Name: piperazino-[4-(4-pyridyl)phenyl]methanone; 2,2,2-trifluoroacetic acid Formula: C20H19F6N3O5 MolecularWeight: 495.372379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O.2C2HF3O2/c20-16(19-11-9-18-10-12-19)15-3-1-13(2-4-15)14-5-7-17-8-6-14;2*3-2(4,5)1(6)7/h1-8,18H,9-12H2;2*(H,6,7)