[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C20H20N6O3/c27-19(25-11-9-24(10-12-25)18-3-1-2-8-22-18)13-29-20(28)16-4-6-17(7-5-16)26-15-21-14-23-26/h1-8,14-15H,9-13H2