ethyl 2-[1-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-5-yl]oxyethanoate

Systemtic Name: ethyl 2-[1-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 2-[[1-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-isoquinolyl]oxy]acetate CAS Name: 2-[[1-oxo-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-isoquinolinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-5-yl]oxyacetate Traditional Name: 2-[[1-keto-2-[2-keto-2-(4-phenylpiperazino)ethyl]-5-isoquinolyl]oxy]acetic acid ethyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5/c1-2-32-24(30)18-33-22-10-6-9-21-20(22)11-12-28(25(21)31)17-23(29)27-15-13-26(14-16-27)19-7-4-3-5-8-19/h3-12H,2,13-18H2,1H3