ethyl 4-[2-(1-oxidanylidene-2-propyl-isoquinolin-5-yl)oxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1-oxidanylidene-2-propyl-isoquinolin-5-yl)oxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(1-oxo-2-propyl-5-isoquinolyl)oxy]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(1-oxo-2-propyl-5-isoquinolinyl)oxy]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-keto-2-propyl-5-isoquinolyl)oxy]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H27N3O5/c1-3-9-23-10-8-16-17(20(23)26)6-5-7-18(16)29-15-19(25)22-11-13-24(14-12-22)21(27)28-4-2/h5-8,10H,3-4,9,11-15H2,1-2H3