N-(5-acetamido-2-fluoranyl-phenyl)-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-(5-acetamido-2-fluoranyl-phenyl)-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-fluoro-phenyl)-2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetamide CAS Name: N-(5-acetamido-2-fluorophenyl)-2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetamide IUPAC Name: N-(5-acetamido-2-fluorophenyl)-2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetamide Traditional Name: N-(5-acetamido-2-fluoro-phenyl)-2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetamide Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)F)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)F)NC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C21H20FN3O3/c1-13(26)23-16-7-8-18(22)19(11-16)24-21(28)12-20-17-6-4-3-5-15(17)9-10-25(20)14(2)27/h3-11,20H,12H2,1-2H3,(H,23,26)(H,24,28)/t20-/m1/s1