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

Systemtic Name: 4-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-3H-phthalazine-1-carboxamide Formula: C22H14N4O2 MolecularWeight: 366.37216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C22H14N4O2/c27-21-19-10-2-1-9-18(19)20(25-26-21)22(28)24-17-8-5-6-15(14-17)11-12-16-7-3-4-13-23-16/h1-10,13-14H,(H,24,28)(H,26,27)