ethyl 5-pent-1-ynyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-pent-1-ynyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-pent-1-ynyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-pent-1-ynyl-2-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-pent-1-ynyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-pent-1-ynyl-2-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=NN(C(=C1)C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCC#CC1=NN(C(=C1)C(=O)OCC)C2=CC=CC=C2

InChI

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