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

Systemtic Name: methyl 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoate Openeye Name: methyl 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoate CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoate Traditional Name: 3-[[4-(2-pyrimidyl)piperazino]methyl]benzoic acid methyl ester Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H20N4O2/c1-23-16(22)15-5-2-4-14(12-15)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3