N-[(5-chloranyl-2-methoxy-phenyl)methyl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[(5-chloranyl-2-methoxy-phenyl)methyl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-methyl-ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(5-chloro-2-methoxy-phenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloro-2-methoxy-benzyl)-N-methyl-acetamide Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N(C)CC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)N(C)CC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C22H23ClN2O3/c1-15(26)25-11-10-16-6-4-5-7-19(16)20(25)13-22(27)24(2)14-17-12-18(23)8-9-21(17)28-3/h4-12,20H,13-14H2,1-3H3/t20-/m0/s1