3-(2-chlorophenyl)-N-[1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[1-oxo-2-(3-pyridylmethyl)-5-isoquinolyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[1-oxo-2-(3-pyridinylmethyl)-5-isoquinolinyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[1-keto-2-(3-pyridylmethyl)-5-isoquinolyl]propionamide Formula: C24H20ClN3O2 MolecularWeight: 417.8875

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4=CN=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4=CN=CC=C4)Cl

InChI

InChI=1S/C24H20ClN3O2/c25-21-8-2-1-6-18(21)10-11-23(29)27-22-9-3-7-20-19(22)12-14-28(24(20)30)16-17-5-4-13-26-15-17/h1-9,12-15H,10-11,16H2,(H,27,29)