(E)-1-(1,3,5-trimethylpyrazol-4-yl)hept-2-en-1-one

Systemtic Name: (E)-1-(1,3,5-trimethylpyrazol-4-yl)hept-2-en-1-one Openeye Name: (E)-1-(1,3,5-trimethylpyrazol-4-yl)hept-2-en-1-one CAS Name: (E)-1-(1,3,5-trimethyl-4-pyrazolyl)-2-hepten-1-one IUPAC Name: (E)-1-(1,3,5-trimethylpyrazol-4-yl)hept-2-en-1-one Traditional Name: (E)-1-(1,3,5-trimethylpyrazol-4-yl)hept-2-en-1-one Formula: C13H20N2O MolecularWeight: 220.3107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c1-5-6-7-8-9-12(16)13-10(2)14-15(4)11(13)3/h8-9H,5-7H2,1-4H3/b9-8+