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

Systemtic Name: 3-[4-(2-methylpropyl)phenyl]-1-(3-oxidanyl-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one Openeye Name: 1-(3-hydroxy-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-isobutylphenyl)prop-2-yn-1-one CAS Name: 1-[3-hydroxy-4-(2-pyrimidinyl)-1-piperazinyl]-3-[4-(2-methylpropyl)phenyl]-2-propyn-1-one IUPAC Name: 1-(3-hydroxy-4-pyrimidin-2-ylpiperazin-1-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-yn-1-one Traditional Name: 1-[3-hydroxy-4-(2-pyrimidyl)piperazino]-3-(4-isobutylphenyl)prop-2-yn-1-one Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-16(2)14-18-6-4-17(5-7-18)8-9-19(26)24-12-13-25(20(27)15-24)21-22-10-3-11-23-21/h3-7,10-11,16,20,27H,12-15H2,1-2H3