3-fluoranyl-5-[4-(1-methyl-6-oxidanylidene-pyridazin-4-yl)piperazin-1-yl]carbonyl-benzenecarbonitrile

Systemtic Name: 3-fluoranyl-5-[4-(1-methyl-6-oxidanylidene-pyridazin-4-yl)piperazin-1-yl]carbonyl-benzenecarbonitrile Openeye Name: 3-fluoro-5-[4-(1-methyl-6-oxo-pyridazin-4-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-fluoro-5-[[4-(1-methyl-6-oxo-4-pyridazinyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-fluoro-5-[4-(1-methyl-6-oxopyridazin-4-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-fluoro-5-[4-(6-keto-1-methyl-pyridazin-4-yl)piperazine-1-carbonyl]benzonitrile Formula: C17H16FN5O2 MolecularWeight: 341.339643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)C#N)F

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)C#N)F

InChI

InChI=1S/C17H16FN5O2/c1-21-16(24)9-15(11-20-21)22-2-4-23(5-3-22)17(25)13-6-12(10-19)7-14(18)8-13/h6-9,11H,2-5H2,1H3