1-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2H-isoquinoline-3-carboxamide

Systemtic Name: 1-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2H-isoquinoline-3-carboxamide Openeye Name: 1-oxo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2H-isoquinoline-3-carboxamide CAS Name: 1-oxo-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-2H-isoquinoline-3-carboxamide IUPAC Name: 1-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2H-isoquinoline-3-carboxamide Formula: C23H15N3O2 MolecularWeight: 365.3841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C23H15N3O2/c27-22-20-10-2-1-7-17(20)15-21(26-22)23(28)25-19-9-5-6-16(14-19)11-12-18-8-3-4-13-24-18/h1-10,13-15H,(H,25,28)(H,26,27)