N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-[(2-chloro-4-fluorophenyl)methyl]-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-[(2-chloro-4-fluorophenyl)methyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(2-chloro-4-fluoro-benzyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C21H19ClFN3O3 MolecularWeight: 415.845263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H19ClFN3O3/c22-18-11-16(23)6-5-15(18)12-25-19(27)7-9-24-20(28)13-26-10-8-14-3-1-2-4-17(14)21(26)29/h1-6,8,10-11H,7,9,12-13H2,(H,24,28)(H,25,27)