2-[[2-(quinolin-2-ylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[2-(quinolin-2-ylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[2-(2-quinolylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]acetonitrile CAS Name: 2-[[2-(2-quinolinylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]thio]acetonitrile IUPAC Name: 2-[[2-(quinolin-2-ylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]acetonitrile Traditional Name: 2-[[2-(2-quinolylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]thio]acetonitrile Formula: C26H20N2O2S MolecularWeight: 424.5142

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)SCC#N

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)SCC#N

InChI

InChI=1S/C26H20N2O2S/c27-13-14-31-26-22-7-3-1-6-19(22)16-30-25-12-11-21(15-23(25)26)29-17-20-10-9-18-5-2-4-8-24(18)28-20/h1-12,15,26H,14,16-17H2