[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)NNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC(=O)NNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c1-15(26)25-12-11-16-7-5-6-10-18(16)19(25)13-21(28)30-14-20(27)23-24-22(29)17-8-3-2-4-9-17/h2-12,19H,13-14H2,1H3,(H,23,27)(H,24,29)/t19-/m0/s1