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

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]phthalazine-1-carboxamide Formula: C28H18N4O2 MolecularWeight: 442.46812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

InChI

InChI=1S/C28H18N4O2/c33-27(30-22-11-8-9-20(19-22)16-17-21-10-6-7-18-29-21)26-24-14-4-5-15-25(24)28(34)32(31-26)23-12-2-1-3-13-23/h1-15,18-19H,(H,30,33)