2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazinyl]benzoate IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate Traditional Name: 2-[4-(2-pyrimidyl)piperazino]benzoate Formula: C15H15N4O2- MolecularWeight: 283.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C(=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C(=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C15H16N4O2/c20-14(21)12-4-1-2-5-13(12)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h1-7H,8-11H2,(H,20,21)/p-1