3-(2-phenylethynyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzoate

Systemtic Name: 3-(2-phenylethynyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzoate Openeye Name: 3-(2-phenylethynyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzoate CAS Name: 3-(2-phenylethynyl)-4-(3,4,5-trimethyl-1-pyrazolyl)benzoate IUPAC Name: 3-(2-phenylethynyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzoate Traditional Name: 3-(2-phenylethynyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzoate Formula: C21H17N2O2- MolecularWeight: 329.37188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=C(C=C(C=C2)C(=O)[O-])C#CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=C(C=C(C=C2)C(=O)[O-])C#CC3=CC=CC=C3)C

InChI

InChI=1S/C21H18N2O2/c1-14-15(2)22-23(16(14)3)20-12-11-19(21(24)25)13-18(20)10-9-17-7-5-4-6-8-17/h4-8,11-13H,1-3H3,(H,24,25)/p-1