2-(4-pyridin-2-ylbut-3-ynyl)phthalazin-1-one

Systemtic Name: 2-(4-pyridin-2-ylbut-3-ynyl)phthalazin-1-one Openeye Name: 2-[4-(2-pyridyl)but-3-ynyl]phthalazin-1-one CAS Name: 2-[4-(2-pyridinyl)but-3-ynyl]-1-phthalazinone IUPAC Name: 2-(4-pyridin-2-ylbut-3-ynyl)phthalazin-1-one Traditional Name: 2-[4-(2-pyridyl)but-3-ynyl]phthalazin-1-one Formula: C17H13N3O MolecularWeight: 275.30462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CCC#CC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CCC#CC3=CC=CC=N3

InChI

InChI=1S/C17H13N3O/c21-17-16-10-2-1-7-14(16)13-19-20(17)12-6-4-9-15-8-3-5-11-18-15/h1-3,5,7-8,10-11,13H,6,12H2