[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C23H21N3O4/c1-15(23(29)25-20-10-6-4-8-18(20)14-24)30-22(28)13-21-19-9-5-3-7-17(19)11-12-26(21)16(2)27/h3-12,15,21H,13H2,1-2H3,(H,25,29)