4-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one hydrochloride

Systemtic Name: 4-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one hydrochloride Openeye Name: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one hydrochloride CAS Name: 1-(4-fluorophenyl)-4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]-1-butanone hydrochloride IUPAC Name: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one hydrochloride Traditional Name: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazino]butan-1-one hydrochloride Formula: C18H21ClF2N4O MolecularWeight: 382.835346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=NC=C(C=N3)F.Cl

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=NC=C(C=N3)F.Cl

InChI

InChI=1S/C18H20F2N4O.ClH/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18;/h3-6,12-13H,1-2,7-11H2;1H