3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoate

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoate Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoate CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzoate IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoate Traditional Name: 3-[[4-(2-pyrimidyl)piperazino]methyl]benzoate Formula: C16H17N4O2- MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C(=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C(=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C16H18N4O2/c21-15(22)14-4-1-3-13(11-14)12-19-7-9-20(10-8-19)16-17-5-2-6-18-16/h1-6,11H,7-10,12H2,(H,21,22)/p-1