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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]acetamide Formula: C22H16ClFN4O2 MolecularWeight: 422.839443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClFN4O2/c23-18-11-15(7-8-19(18)24)26-21(29)13-28-22(30)17-6-2-1-5-16(17)20(27-28)10-14-4-3-9-25-12-14/h1-9,11-12H,10,13H2,(H,26,29)