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

Systemtic Name: 2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]-N-(3-pyridylmethyl)acetamide Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CN=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CN=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C22H19N5O2/c28-21(25-14-17-6-4-10-24-13-17)15-27-22(29)19-8-2-1-7-18(19)20(26-27)11-16-5-3-9-23-12-16/h1-10,12-13H,11,14-15H2,(H,25,28)