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

Systemtic Name: 4-butyl-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-butyl-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-butyl-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-butyl-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-butyl-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C15H20N2O MolecularWeight: 244.3321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C15H20N2O/c1-4-5-11-14-12(2)16(3)17(15(14)18)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3