N-[2-(2-acetamidoethyl)-1-oxidanylidene-isoquinolin-5-yl]-2-(3-chloranyl-4-fluoranyl-phenyl)ethanamide

Systemtic Name: N-[2-(2-acetamidoethyl)-1-oxidanylidene-isoquinolin-5-yl]-2-(3-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: N-[2-(2-acetamidoethyl)-1-oxo-5-isoquinolyl]-2-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: N-[2-(2-acetamidoethyl)-1-oxo-5-isoquinolinyl]-2-(3-chloro-4-fluorophenyl)acetamide IUPAC Name: N-[2-(2-acetamidoethyl)-1-oxoisoquinolin-5-yl]-2-(3-chloro-4-fluorophenyl)acetamide Traditional Name: N-[2-(2-acetamidoethyl)-1-keto-5-isoquinolyl]-2-(3-chloro-4-fluoro-phenyl)acetamide Formula: C21H19ClFN3O3 MolecularWeight: 415.845263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(=O)NCCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H19ClFN3O3/c1-13(27)24-8-10-26-9-7-15-16(21(26)29)3-2-4-19(15)25-20(28)12-14-5-6-18(23)17(22)11-14/h2-7,9,11H,8,10,12H2,1H3,(H,24,27)(H,25,28)