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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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