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

Systemtic Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-prop-2-enoxy-phenoxy]ethanenitrile Openeye Name: 2-[5-allyloxy-2-(1H-imidazo[4,5-d]pyridazin-2-yl)phenoxy]acetonitrile CAS Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-prop-2-enoxyphenoxy]acetonitrile IUPAC Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-prop-2-enoxyphenoxy]acetonitrile Traditional Name: 2-[5-allyloxy-2-(1H-imidazo[4,5-d]pyridazin-2-yl)phenoxy]acetonitrile Formula: C16H13N5O2 MolecularWeight: 307.30672

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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/C16H13N5O2/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/h2-4,8-10H,1,6-7H2,(H,20,21)