3-chloranyl-5-[6-cyclopropyl-2-fluoranyl-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-[6-cyclopropyl-2-fluoranyl-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzenecarbonitrile Openeye Name: 3-chloro-5-[6-cyclopropyl-2-fluoro-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzonitrile CAS Name: 3-chloro-5-[6-cyclopropyl-2-fluoro-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzonitrile IUPAC Name: 3-chloro-5-[6-cyclopropyl-2-fluoro-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzonitrile Traditional Name: 3-chloro-5-[6-cyclopropyl-2-fluoro-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzonitrile Formula: C22H15ClFN5O MolecularWeight: 419.838803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=C(C=C2)CC3=C4C=CN=NC4=NN3)F)OC5=CC(=CC(=C5)C#N)Cl

Isomeric SMILES

C1CC1C2=C(C(=C(C=C2)CC3=C4C=CN=NC4=NN3)F)OC5=CC(=CC(=C5)C#N)Cl

InChI

InChI=1S/C22H15ClFN5O/c23-15-7-12(11-25)8-16(10-15)30-21-17(13-1-2-13)4-3-14(20(21)24)9-19-18-5-6-26-28-22(18)29-27-19/h3-8,10,13H,1-2,9H2,(H,27,28,29)