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

Systemtic Name: methyl 2-[[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O3/c1-35-27(34)21-10-4-5-11-23(21)30-26(33)22-18-29-25(20-9-3-2-8-19(20)22)32-16-14-31(15-17-32)24-12-6-7-13-28-24/h2-13,18H,14-17H2,1H3,(H,30,33)