3-[2-bromanyl-4-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methyl-benzenecarbonitrile

Systemtic Name: 3-[2-bromanyl-4-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methyl-benzenecarbonitrile Openeye Name: 3-[2-bromo-4-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methyl-benzonitrile CAS Name: 3-[2-bromo-4-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile IUPAC Name: 3-[2-bromo-4-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile Traditional Name: 3-[2-bromo-4-(2H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methyl-benzonitrile Formula: C20H14BrN5O MolecularWeight: 420.26206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C#N)OC2=C(C=C(C=C2)CC3=C4C=CN=NC4=NN3)Br

Isomeric SMILES

CC1=CC(=CC(=C1)C#N)OC2=C(C=C(C=C2)CC3=C4C=CN=NC4=NN3)Br

InChI

InChI=1S/C20H14BrN5O/c1-12-6-14(11-22)8-15(7-12)27-19-3-2-13(9-17(19)21)10-18-16-4-5-23-25-20(16)26-24-18/h2-9H,10H2,1H3,(H,24,25,26)