(2-oxidanylidene-1,2-diphenyl-ethyl) 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid desyl ester Formula: C29H21N3O3 MolecularWeight: 459.49534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H21N3O3/c33-27(21-11-4-1-5-12-21)28(22-13-6-2-7-14-22)35-29(34)25-20-32(24-16-8-3-9-17-24)31-26(25)23-15-10-18-30-19-23/h1-20,28H