5-(2-methylpyrazol-3-yl)-2-propyl-cyclohexane-1,3-dione

Systemtic Name: 5-(2-methylpyrazol-3-yl)-2-propyl-cyclohexane-1,3-dione Openeye Name: 5-(2-methylpyrazol-3-yl)-2-propyl-cyclohexane-1,3-dione CAS Name: 5-(2-methyl-3-pyrazolyl)-2-propylcyclohexane-1,3-dione IUPAC Name: 5-(2-methylpyrazol-3-yl)-2-propylcyclohexane-1,3-dione Traditional Name: 5-(2-methylpyrazol-3-yl)-2-propyl-cyclohexane-1,3-quinone Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)CC(CC1=O)C2=CC=NN2C

Isomeric SMILES

CCCC1C(=O)CC(CC1=O)C2=CC=NN2C

InChI

InChI=1S/C13H18N2O2/c1-3-4-10-12(16)7-9(8-13(10)17)11-5-6-14-15(11)2/h5-6,9-10H,3-4,7-8H2,1-2H3