2-(2,5-dimethylphenyl)-N-[1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenyl)-N-[1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(2,5-dimethylphenyl)-N-[1-oxo-2-(3-pyridylmethyl)-5-isoquinolyl]acetamide CAS Name: 2-(2,5-dimethylphenyl)-N-[1-oxo-2-(3-pyridinylmethyl)-5-isoquinolinyl]acetamide IUPAC Name: 2-(2,5-dimethylphenyl)-N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]acetamide Traditional Name: 2-(2,5-dimethylphenyl)-N-[1-keto-2-(3-pyridylmethyl)-5-isoquinolyl]acetamide Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C25H23N3O2/c1-17-8-9-18(2)20(13-17)14-24(29)27-23-7-3-6-22-21(23)10-12-28(25(22)30)16-19-5-4-11-26-15-19/h3-13,15H,14,16H2,1-2H3,(H,27,29)