ethyl 2-[[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-[4-(2-pyridyl)piperazino]isoquinoline-4-carbonyl]amino]benzoic acid ethyl ester Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H27N5O3/c1-2-36-28(35)22-11-5-6-12-24(22)31-27(34)23-19-30-26(21-10-4-3-9-20(21)23)33-17-15-32(16-18-33)25-13-7-8-14-29-25/h3-14,19H,2,15-18H2,1H3,(H,31,34)