ethyl 5-pent-1-ynyl-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-pent-1-ynyl-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-pent-1-ynyl-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-pent-1-ynyl-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-pent-1-ynyl-1-phenylpyrazole-3-carboxylate Traditional Name: 5-pent-1-ynyl-1-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC(=NN1C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCC#CC1=CC(=NN1C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C17H18N2O2/c1-3-5-7-12-15-13-16(17(20)21-4-2)18-19(15)14-10-8-6-9-11-14/h6,8-11,13H,3-5H2,1-2H3