N-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-methyl-ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(4-chloroanilino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(4-chloroanilino)-2-keto-ethyl]-N-methyl-acetamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3/c1-15(27)26-12-11-16-5-3-4-6-19(16)20(26)13-22(29)25(2)14-21(28)24-18-9-7-17(23)8-10-18/h3-12,20H,13-14H2,1-2H3,(H,24,28)/t20-/m0/s1