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

Systemtic Name: 3-(3-azanyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzenecarbonitrile Openeye Name: 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile CAS Name: 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile IUPAC Name: 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile Traditional Name: 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile Formula: C18H12N6 MolecularWeight: 312.32808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N6/c19-10-11-5-4-8-13(9-11)14-15-17(20)22-24-18(15)23-21-16(14)12-6-2-1-3-7-12/h1-9H,(H3,20,22,23,24)