(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CC1C2=CC=CC=C2C=CN1C(=O)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C[C@@H]1C2=CC=CC=C2C=CN1C(=O)C

InChI

InChI=1S/C19H19N3O4/c1-12(21)16(10-20)18(24)11-26-19(25)9-17-15-6-4-3-5-14(15)7-8-22(17)13(2)23/h3-8,16-17,21H,9,11H2,1-2H3/t16?,17-/m1/s1