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

Systemtic Name: 4-(5-fluoranylpyrimidin-2-yl)-1-(4-fluorophenyl)-4-piperazin-1-yl-butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)-4-piperazin-1-yl-butan-1-one CAS Name: 1-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-4-(1-piperazinyl)-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)-4-piperazin-1-ylbutan-1-one Traditional Name: 1-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)-4-piperazino-butan-1-one Formula: C18H20F2N4O MolecularWeight: 346.374406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CCC(=O)C2=CC=C(C=C2)F)C3=NC=C(C=N3)F

Isomeric SMILES

C1CN(CCN1)C(CCC(=O)C2=CC=C(C=C2)F)C3=NC=C(C=N3)F

InChI

InChI=1S/C18H20F2N4O/c19-14-3-1-13(2-4-14)17(25)6-5-16(24-9-7-21-8-10-24)18-22-11-15(20)12-23-18/h1-4,11-12,16,21H,5-10H2