1-(3-fluoranyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-yn-1-one

Systemtic Name: 1-(3-fluoranyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-yn-1-one Openeye Name: 1-(3-fluoro-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-isobutylphenyl)prop-2-yn-1-one CAS Name: 1-[3-fluoro-4-(2-pyrimidinyl)-1-piperazinyl]-3-[4-(2-methylpropyl)phenyl]-2-propyn-1-one IUPAC Name: 1-(3-fluoro-4-pyrimidin-2-ylpiperazin-1-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-yn-1-one Traditional Name: 1-[3-fluoro-4-(2-pyrimidyl)piperazino]-3-(4-isobutylphenyl)prop-2-yn-1-one Formula: C21H23FN4O MolecularWeight: 366.431923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)F)C3=NC=CC=N3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)F)C3=NC=CC=N3

InChI

InChI=1S/C21H23FN4O/c1-16(2)14-18-6-4-17(5-7-18)8-9-20(27)25-12-13-26(19(22)15-25)21-23-10-3-11-24-21/h3-7,10-11,16,19H,12-15H2,1-2H3