N-(3-chlorophenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-(3-chlorophenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(3-chlorophenyl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-(3-chlorophenyl)-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(3-chlorophenyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(3-chlorophenyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3O3/c21-15-5-3-6-16(12-15)23-18(25)8-10-22-19(26)13-24-11-9-14-4-1-2-7-17(14)20(24)27/h1-7,9,11-12H,8,10,13H2,(H,22,26)(H,23,25)