2-[3-methoxy-4-[5-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-yl]phenoxy]ethanenitrile

Systemtic Name: 2-[3-methoxy-4-[5-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[3-methoxy-4-[5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-yl]phenoxy]acetonitrile CAS Name: 2-[3-methoxy-4-[5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[3-methoxy-4-[5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[5-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-yl]-3-methoxy-phenoxy]acetonitrile Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCC#N)C2=CC3=C(N2)C=CC(=C3)C4=NNC(=O)CC4

Isomeric SMILES

COC1=C(C=CC(=C1)OCC#N)C2=CC3=C(N2)C=CC(=C3)C4=NNC(=O)CC4

InChI

InChI=1S/C21H18N4O3/c1-27-20-12-15(28-9-8-22)3-4-16(20)19-11-14-10-13(2-5-17(14)23-19)18-6-7-21(26)25-24-18/h2-5,10-12,23H,6-7,9H2,1H3,(H,25,26)