(4E)-4-[1-(4-ethyl-2,3-dimethyl-phenyl)ethylidene]-2,5-dimethyl-pyrazol-3-one

Systemtic Name: (4E)-4-[1-(4-ethyl-2,3-dimethyl-phenyl)ethylidene]-2,5-dimethyl-pyrazol-3-one Openeye Name: (4E)-4-[1-(4-ethyl-2,3-dimethyl-phenyl)ethylidene]-2,5-dimethyl-pyrazol-3-one CAS Name: (4E)-4-[1-(4-ethyl-2,3-dimethylphenyl)ethylidene]-2,5-dimethyl-3-pyrazolone IUPAC Name: (4E)-4-[1-(4-ethyl-2,3-dimethylphenyl)ethylidene]-2,5-dimethylpyrazol-3-one Traditional Name: (4E)-4-[1-(4-ethyl-2,3-dimethyl-phenyl)ethylidene]-2,5-dimethyl-2-pyrazolin-3-one Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C(=C2C(=NN(C2=O)C)C)C)C)C

Isomeric SMILES

CCC1=C(C(=C(C=C1)/C(=C/2\C(=NN(C2=O)C)C)/C)C)C

InChI

InChI=1S/C17H22N2O/c1-7-14-8-9-15(11(3)10(14)2)12(4)16-13(5)18-19(6)17(16)20/h8-9H,7H2,1-6H3/b16-12+