5-methyl-4-[(4-propylphenyl)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[(4-propylphenyl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-[(4-propylphenyl)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[(4-propylphenyl)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[(4-propylphenyl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-methyl-4-(4-propylbenzyl)-3-pyrazolin-3-one Formula: C14H18N2O MolecularWeight: 230.30552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CC2=C(NNC2=O)C

Isomeric SMILES

CCCC1=CC=C(C=C1)CC2=C(NNC2=O)C

InChI

InChI=1S/C14H18N2O/c1-3-4-11-5-7-12(8-6-11)9-13-10(2)15-16-14(13)17/h5-8H,3-4,9H2,1-2H3,(H2,15,16,17)