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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]acetamide Formula: C21H16ClN5O2 MolecularWeight: 405.83704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN5O2/c22-20-17(8-4-10-24-20)25-19(28)13-27-21(29)16-7-2-1-6-15(16)18(26-27)11-14-5-3-9-23-12-14/h1-10,12H,11,13H2,(H,25,28)