tert-butyl 4-[6-chloranyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-chloranyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-2-(2-ethoxy-2-oxo-ethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(2-ethoxy-2-oxoethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-2-(2-ethoxy-2-oxoethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[6-chloro-2-(2-ethoxy-2-keto-ethyl)-1-keto-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H30ClN3O5 MolecularWeight: 451.9437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC2=CC(=C(C=C2C1=O)N3CCN(CC3)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CCOC(=O)CN1CCC2=CC(=C(C=C2C1=O)N3CCN(CC3)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C22H30ClN3O5/c1-5-30-19(27)14-26-7-6-15-12-17(23)18(13-16(15)20(26)28)24-8-10-25(11-9-24)21(29)31-22(2,3)4/h12-13H,5-11,14H2,1-4H3