[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(3-cyanoanilino)-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-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H19N3O4/c1-15(26)25-10-9-17-6-2-3-8-19(17)20(25)12-22(28)29-14-21(27)24-18-7-4-5-16(11-18)13-23/h2-11,20H,12,14H2,1H3,(H,24,27)/t20-/m0/s1