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

Systemtic Name: methyl 3-[(4-pyridin-2-ylpiperazin-1-yl)carbonylamino]benzoate Openeye Name: methyl 3-[[4-(2-pyridyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoate Traditional Name: 3-[[4-(2-pyridyl)piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-25-17(23)14-5-4-6-15(13-14)20-18(24)22-11-9-21(10-12-22)16-7-2-3-8-19-16/h2-8,13H,9-12H2,1H3,(H,20,24)