3-[[2-(quinolin-2-ylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[2-(quinolin-2-ylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanenitrile Openeye Name: 3-[[2-(2-quinolylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanenitrile CAS Name: 3-[[2-(2-quinolinylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]thio]propanenitrile IUPAC Name: 3-[[2-(quinolin-2-ylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanenitrile Traditional Name: 3-[[2-(2-quinolylmethoxy)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]thio]propionitrile Formula: C27H22N2O2S MolecularWeight: 438.54078

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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)SCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O2S/c28-14-5-15-32-27-23-8-3-1-7-20(23)17-31-26-13-12-22(16-24(26)27)30-18-21-11-10-19-6-2-4-9-25(19)29-21/h1-4,6-13,16,27H,5,15,17-18H2