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

Systemtic Name: methyl 4-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O3/c1-27-18(26)16-5-3-15(4-6-16)13-22-17(25)14-23-9-11-24(12-10-23)19-20-7-2-8-21-19/h2-8H,9-14H2,1H3,(H,22,25)