[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate CAS Name: 6-(1-pyrazolyl)-3-pyridinecarboxylic acid [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate Traditional Name: 6-pyrazol-1-ylnicotinic acid [2-keto-2-(2-phenyl-1H-indol-3-yl)ethyl] ester Formula: C25H18N4O3 MolecularWeight: 422.43542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)COC(=O)C4=CN=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)COC(=O)C4=CN=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C25H18N4O3/c30-21(16-32-25(31)18-11-12-22(26-15-18)29-14-6-13-27-29)23-19-9-4-5-10-20(19)28-24(23)17-7-2-1-3-8-17/h1-15,28H,16H2