1,5-dimethyl-2-phenyl-4-propyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-propyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-propyl-pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-propyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-propylpyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-propyl-3-pyrazolin-3-one Formula: C14H18N2O MolecularWeight: 230.30552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

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