4-butyl-1-ethyl-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-butyl-1-ethyl-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-butyl-1-ethyl-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-butyl-1-ethyl-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-butyl-1-ethyl-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-butyl-1-ethyl-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C16H22N2O MolecularWeight: 258.35868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O/c1-4-6-12-15-13(3)17(5-2)18(16(15)19)14-10-8-7-9-11-14/h7-11H,4-6,12H2,1-3H3