(E)-1-(1,3-dimethylpyrazol-4-yl)hept-2-en-1-one

Systemtic Name: (E)-1-(1,3-dimethylpyrazol-4-yl)hept-2-en-1-one Openeye Name: (E)-1-(1,3-dimethylpyrazol-4-yl)hept-2-en-1-one CAS Name: (E)-1-(1,3-dimethyl-4-pyrazolyl)-2-hepten-1-one IUPAC Name: (E)-1-(1,3-dimethylpyrazol-4-yl)hept-2-en-1-one Traditional Name: (E)-1-(1,3-dimethylpyrazol-4-yl)hept-2-en-1-one Formula: C12H18N2O MolecularWeight: 206.28412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=O)C1=CN(N=C1C)C

Isomeric SMILES

CCCC/C=C/C(=O)C1=CN(N=C1C)C

InChI

InChI=1S/C12H18N2O/c1-4-5-6-7-8-12(15)11-9-14(3)13-10(11)2/h7-9H,4-6H2,1-3H3/b8-7+