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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[[2-(3-methyl-1-oxo-2-isoquinolyl)acetyl]amino]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[2-(1-keto-3-methyl-2-isoquinolyl)acetyl]amino]acetamide Formula: C20H17ClFN3O3 MolecularWeight: 401.818683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H17ClFN3O3/c1-12-8-13-4-2-3-5-15(13)20(28)25(12)11-19(27)23-10-18(26)24-14-6-7-17(22)16(21)9-14/h2-9H,10-11H2,1H3,(H,23,27)(H,24,26)