ethyl 1,3-diphenyl-5-propyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1,3-diphenyl-5-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 1,3-diphenyl-5-propyl-pyrazole-4-carboxylate CAS Name: 1,3-diphenyl-5-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3-diphenyl-5-propylpyrazole-4-carboxylate Traditional Name: 1,3-diphenyl-5-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H22N2O2/c1-3-11-18-19(21(24)25-4-2)20(16-12-7-5-8-13-16)22-23(18)17-14-9-6-10-15-17/h5-10,12-15H,3-4,11H2,1-2H3