4,4,4-tris(fluoranyl)-3-[4-(phenylmethyl)piperazin-1-yl]-1-pyridin-2-yl-butan-1-one

Systemtic Name: 4,4,4-tris(fluoranyl)-3-[4-(phenylmethyl)piperazin-1-yl]-1-pyridin-2-yl-butan-1-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-4,4,4-trifluoro-1-(2-pyridyl)butan-1-one CAS Name: 4,4,4-trifluoro-3-[4-(phenylmethyl)-1-piperazinyl]-1-(2-pyridinyl)-1-butanone IUPAC Name: 3-(4-benzylpiperazin-1-yl)-4,4,4-trifluoro-1-pyridin-2-ylbutan-1-one Traditional Name: 3-(4-benzylpiperazino)-4,4,4-trifluoro-1-(2-pyridyl)butan-1-one Formula: C20H22F3N3O MolecularWeight: 377.40339

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(CC(=O)C3=CC=CC=N3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(CC(=O)C3=CC=CC=N3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O/c21-20(22,23)19(14-18(27)17-8-4-5-9-24-17)26-12-10-25(11-13-26)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2