1-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]propan-1-one

Systemtic Name: 1-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]propan-1-one Openeye Name: 1-[2-(m-tolyl)-3,4-dihydropyrazol-5-yl]propan-1-one CAS Name: 1-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]-1-propanone IUPAC Name: 1-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]propan-1-one Traditional Name: 1-[1-(m-tolyl)-2-pyrazolin-3-yl]propan-1-one Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=NN(CC1)C2=CC=CC(=C2)C

Isomeric SMILES

CCC(=O)C1=NN(CC1)C2=CC=CC(=C2)C

InChI

InChI=1S/C13H16N2O/c1-3-13(16)12-7-8-15(14-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3