2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-N-(3-iodanyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-N-(3-iodanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-iodo-4-methyl-phenyl)acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-iodo-4-methylphenyl)acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-iodo-4-methylphenyl)acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-iodo-4-methyl-phenyl)acetamide Formula: C20H19IN2O2 MolecularWeight: 446.28153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C)I

InChI

InChI=1S/C20H19IN2O2/c1-13-7-8-16(11-18(13)21)22-20(25)12-19-17-6-4-3-5-15(17)9-10-23(19)14(2)24/h3-11,19H,12H2,1-2H3,(H,22,25)/t19-/m1/s1