N-[(4-fluorophenyl)methyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-[(4-fluorophenyl)methyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-[(4-fluorophenyl)methyl]-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(4-fluorobenzyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O3/c22-17-7-5-15(6-8-17)13-24-19(26)9-11-23-20(27)14-25-12-10-16-3-1-2-4-18(16)21(25)28/h1-8,10,12H,9,11,13-14H2,(H,23,27)(H,24,26)