ethyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H20N4O2/c1-2-23-16(22)14-5-3-6-15(13-14)20-9-11-21(12-10-20)17-18-7-4-8-19-17/h3-8,13H,2,9-12H2,1H3