N-(3-fluorophenyl)-2-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(3-methyl-4-oxo-phthalazine-1-carbonyl)piperazin-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(4-keto-3-methyl-phthalazine-1-carbonyl)piperazino]acetamide Formula: C22H22FN5O3 MolecularWeight: 423.440183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C22H22FN5O3/c1-26-21(30)18-8-3-2-7-17(18)20(25-26)22(31)28-11-9-27(10-12-28)14-19(29)24-16-6-4-5-15(23)13-16/h2-8,13H,9-12,14H2,1H3,(H,24,29)