cyanomethyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: cyanomethyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: cyanomethyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid cyanomethyl ester Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H13N3O2/c19-11-12-23-18(22)16-13-21(15-9-5-2-6-10-15)20-17(16)14-7-3-1-4-8-14/h1-10,13H,12H2