5-[2-(1,3-dimethylpyrazol-4-yl)ethynyl]naphthalene-1,4-dione

Systemtic Name: 5-[2-(1,3-dimethylpyrazol-4-yl)ethynyl]naphthalene-1,4-dione Openeye Name: 5-[2-(1,3-dimethylpyrazol-4-yl)ethynyl]naphthalene-1,4-dione CAS Name: 5-[2-(1,3-dimethyl-4-pyrazolyl)ethynyl]naphthalene-1,4-dione IUPAC Name: 5-[2-(1,3-dimethylpyrazol-4-yl)ethynyl]naphthalene-1,4-dione Traditional Name: 5-[2-(1,3-dimethylpyrazol-4-yl)ethynyl]-1,4-naphthoquinone Formula: C17H12N2O2 MolecularWeight: 276.28938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C#CC2=C3C(=O)C=CC(=O)C3=CC=C2)C

Isomeric SMILES

CC1=NN(C=C1C#CC2=C3C(=O)C=CC(=O)C3=CC=C2)C

InChI

InChI=1S/C17H12N2O2/c1-11-13(10-19(2)18-11)7-6-12-4-3-5-14-15(20)8-9-16(21)17(12)14/h3-5,8-10H,1-2H3