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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O3/c23-18-7-5-16(6-8-18)9-12-24-20(27)10-13-25-21(28)15-26-14-11-17-3-1-2-4-19(17)22(26)29/h1-8,11,14H,9-10,12-13,15H2,(H,24,27)(H,25,28)