4-[3-azanyl-4-(4-chlorophenyl)-2H-pyrazolo[3,4-c]pyridazin-5-yl]benzenecarbonitrile

Systemtic Name: 4-[3-azanyl-4-(4-chlorophenyl)-2H-pyrazolo[3,4-c]pyridazin-5-yl]benzenecarbonitrile Openeye Name: 4-[3-amino-4-(4-chlorophenyl)-2H-pyrazolo[3,4-c]pyridazin-5-yl]benzonitrile CAS Name: 4-[3-amino-4-(4-chlorophenyl)-2H-pyrazolo[3,4-c]pyridazin-5-yl]benzonitrile IUPAC Name: 4-[3-amino-4-(4-chlorophenyl)-2H-pyrazolo[3,4-c]pyridazin-5-yl]benzonitrile Traditional Name: 4-[3-amino-4-(4-chlorophenyl)-2H-pyrazolo[3,4-c]pyridazin-5-yl]benzonitrile Formula: C18H11ClN6 MolecularWeight: 346.77314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=C(C3=C(NN=C3N=N2)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=C(C3=C(NN=C3N=N2)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H11ClN6/c19-13-7-5-11(6-8-13)14-15-17(21)23-25-18(15)24-22-16(14)12-3-1-10(9-20)2-4-12/h1-8H,(H3,21,23,24,25)