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

Systemtic Name: ethyl 2-[[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carbonyl]amino]acetate CAS Name: 2-[[oxo-[1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinyl]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carbonyl]amino]acetate Traditional Name: 2-[[1-[4-(2-pyridyl)piperazino]isoquinoline-4-carbonyl]amino]acetic acid ethyl ester Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)CNC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H25N5O3/c1-2-31-21(29)16-26-23(30)19-15-25-22(18-8-4-3-7-17(18)19)28-13-11-27(12-14-28)20-9-5-6-10-24-20/h3-10,15H,2,11-14,16H2,1H3,(H,26,30)