phenyl 2-(1,3,5-triphenylpyrazol-4-yl)ethanoate

Systemtic Name: phenyl 2-(1,3,5-triphenylpyrazol-4-yl)ethanoate Openeye Name: phenyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate CAS Name: 2-(1,3,5-triphenyl-4-pyrazolyl)acetic acid phenyl ester IUPAC Name: phenyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate Traditional Name: 2-(1,3,5-triphenylpyrazol-4-yl)acetic acid phenyl ester Formula: C29H22N2O2 MolecularWeight: 430.49718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H22N2O2/c32-27(33-25-19-11-4-12-20-25)21-26-28(22-13-5-1-6-14-22)30-31(24-17-9-3-10-18-24)29(26)23-15-7-2-8-16-23/h1-20H,21H2