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

Systemtic Name: 3-chloranyl-5-[6-ethyl-2-fluoranyl-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzenecarbonitrile Openeye Name: 3-chloro-5-[6-ethyl-2-fluoro-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzonitrile CAS Name: 3-chloro-5-[6-ethyl-2-fluoro-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzonitrile IUPAC Name: 3-chloro-5-[6-ethyl-2-fluoro-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzonitrile Traditional Name: 3-chloro-5-[6-ethyl-2-fluoro-3-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]benzonitrile Formula: C21H15ClFN5O MolecularWeight: 407.828103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)CC2=C3C=CN=NC3=NN2)F)OC4=CC(=CC(=C4)C#N)Cl

Isomeric SMILES

CCC1=C(C(=C(C=C1)CC2=C3C=CN=NC3=NN2)F)OC4=CC(=CC(=C4)C#N)Cl

InChI

InChI=1S/C21H15ClFN5O/c1-2-13-3-4-14(9-18-17-5-6-25-27-21(17)28-26-18)19(23)20(13)29-16-8-12(11-24)7-15(22)10-16/h3-8,10H,2,9H2,1H3,(H,26,27,28)