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

Systemtic Name: N-(4-ethylphenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(4-ethylphenyl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-(4-ethylphenyl)-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(4-ethylphenyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(4-ethylphenyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O3/c1-2-16-7-9-18(10-8-16)24-20(26)11-13-23-21(27)15-25-14-12-17-5-3-4-6-19(17)22(25)28/h3-10,12,14H,2,11,13,15H2,1H3,(H,23,27)(H,24,26)