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

Systemtic Name: N-(3-cyanophenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(3-cyanophenyl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-(3-cyanophenyl)-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(3-cyanophenyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(3-cyanophenyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C21H18N4O3 MolecularWeight: 374.39262

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3/c22-13-15-4-3-6-17(12-15)24-19(26)8-10-23-20(27)14-25-11-9-16-5-1-2-7-18(16)21(25)28/h1-7,9,11-12H,8,10,14H2,(H,23,27)(H,24,26)