3-[3-azanyl-5-(1,3-benzodioxol-5-yl)-2H-pyrazolo[3,4-c]pyridazin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[3-azanyl-5-(1,3-benzodioxol-5-yl)-2H-pyrazolo[3,4-c]pyridazin-4-yl]benzenecarbonitrile Openeye Name: 3-[3-amino-5-(1,3-benzodioxol-5-yl)-2H-pyrazolo[3,4-c]pyridazin-4-yl]benzonitrile CAS Name: 3-[3-amino-5-(1,3-benzodioxol-5-yl)-2H-pyrazolo[3,4-c]pyridazin-4-yl]benzonitrile IUPAC Name: 3-[3-amino-5-(1,3-benzodioxol-5-yl)-2H-pyrazolo[3,4-c]pyridazin-4-yl]benzonitrile Traditional Name: 3-[3-amino-5-(1,3-benzodioxol-5-yl)-2H-pyrazolo[3,4-c]pyridazin-4-yl]benzonitrile Formula: C19H12N6O2 MolecularWeight: 356.33758

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C4=C(NN=C4N=N3)N)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C4=C(NN=C4N=N3)N)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C19H12N6O2/c20-8-10-2-1-3-11(6-10)15-16-18(21)23-25-19(16)24-22-17(15)12-4-5-13-14(7-12)27-9-26-13/h1-7H,9H2,(H3,21,23,24,25)