tert-butyl 4-[2-(2-ethoxy-2-oxidanylidene-ethyl)-1-oxidanylidene-isoquinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2-ethoxy-2-oxidanylidene-ethyl)-1-oxidanylidene-isoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-ethoxy-2-oxo-ethyl)-1-oxo-7-isoquinolyl]piperazine-1-carboxylate CAS Name: 4-[2-(2-ethoxy-2-oxoethyl)-1-oxo-7-isoquinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-ethoxy-2-oxoethyl)-1-oxoisoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-ethoxy-2-keto-ethyl)-1-keto-7-isoquinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=CC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN1C=CC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O5/c1-5-29-19(26)15-25-9-8-16-6-7-17(14-18(16)20(25)27)23-10-12-24(13-11-23)21(28)30-22(2,3)4/h6-9,14H,5,10-13,15H2,1-4H3