ethyl 4-[2-[5-(2-ethoxy-2-oxidanylidene-ethoxy)-1-oxidanylidene-isoquinolin-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[5-(2-ethoxy-2-oxidanylidene-ethoxy)-1-oxidanylidene-isoquinolin-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[5-(2-ethoxy-2-oxo-ethoxy)-1-oxo-2-isoquinolyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[5-(2-ethoxy-2-oxoethoxy)-1-oxo-2-isoquinolinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[5-(2-ethoxy-2-oxoethoxy)-1-oxoisoquinolin-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[5-(2-ethoxy-2-keto-ethoxy)-1-keto-2-isoquinolyl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7/c1-3-30-20(27)15-32-18-7-5-6-17-16(18)8-9-25(21(17)28)14-19(26)23-10-12-24(13-11-23)22(29)31-4-2/h5-9H,3-4,10-15H2,1-2H3