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

Systemtic Name: 2-[[2-(quinolin-2-ylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]ethanamine Openeye Name: 2-[[2-(2-quinolylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]ethanamine CAS Name: 2-[[2-(2-quinolinylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]thio]ethanamine IUPAC Name: 2-[[2-(quinolin-2-ylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]ethanamine Traditional Name: 2-[[2-(2-quinolylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]thio]ethylamine Formula: C26H24N2O2S MolecularWeight: 428.54596

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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)SCCN

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)SCCN

InChI

InChI=1S/C26H24N2O2S/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,13-14,16-17,27H2