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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-yl]amine Formula: C18H13N5O2 MolecularWeight: 331.32812

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O2/c19-17-15-14(10-4-2-1-3-5-10)16(20-22-18(15)23-21-17)11-6-7-12-13(8-11)25-9-24-12/h1-8H,9H2,(H3,19,21,22,23)