2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-prop-2-ynoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-prop-2-ynoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-prop-2-ynoxy-phenoxy]acetonitrile CAS Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-prop-2-ynoxyphenoxy]acetonitrile IUPAC Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-prop-2-ynoxyphenoxy]acetonitrile Traditional Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-propargyloxy-phenoxy]acetonitrile Formula: C16H11N5O2 MolecularWeight: 305.29084

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC(=C(C=C1)C2=NC3=CN=NC=C3N2)OCC#N

Isomeric SMILES

C#CCOC1=CC(=C(C=C1)C2=NC3=CN=NC=C3N2)OCC#N

InChI

InChI=1S/C16H11N5O2/c1-2-6-22-11-3-4-12(15(8-11)23-7-5-17)16-20-13-9-18-19-10-14(13)21-16/h1,3-4,8-10H,6-7H2,(H,20,21)