[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C20H20N6O3 MolecularWeight: 392.4112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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