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

Systemtic Name: ethyl 4-[2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-allyl-1-oxo-5-isoquinolyl)oxy]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(1-oxo-2-prop-2-enyl-5-isoquinolinyl)oxy]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-allyl-1-keto-5-isoquinolyl)oxy]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC3=C2C=CN(C3=O)CC=C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC3=C2C=CN(C3=O)CC=C

InChI

InChI=1S/C21H25N3O5/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/h3,5-8,10H,1,4,9,11-15H2,2H3