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

Systemtic Name: 4,4,4-tris(fluoranyl)-3-[4-(phenylmethyl)piperazin-1-yl]-1-pyridin-3-yl-butan-1-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-4,4,4-trifluoro-1-(3-pyridyl)butan-1-one CAS Name: 4,4,4-trifluoro-3-[4-(phenylmethyl)-1-piperazinyl]-1-(3-pyridinyl)-1-butanone IUPAC Name: 3-(4-benzylpiperazin-1-yl)-4,4,4-trifluoro-1-pyridin-3-ylbutan-1-one Traditional Name: 3-(4-benzylpiperazino)-4,4,4-trifluoro-1-(3-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=CN=CC=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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