2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-pyridin-3-yl-ethanamide

Systemtic Name: 2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]-N-(3-pyridyl)acetamide CAS Name: 2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-pyridin-3-ylacetamide Traditional Name: 2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]-N-(3-pyridyl)acetamide Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CN=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CN=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C21H17N5O2/c27-20(24-16-6-4-10-23-13-16)14-26-21(28)18-8-2-1-7-17(18)19(25-26)11-15-5-3-9-22-12-15/h1-10,12-13H,11,14H2,(H,24,27)