2-[3-(phenylmethyl)-1,5-dihydro-2,4-benzodioxepin-3-yl]ethanenitrile

Systemtic Name: 2-[3-(phenylmethyl)-1,5-dihydro-2,4-benzodioxepin-3-yl]ethanenitrile Openeye Name: 2-(3-benzyl-1,5-dihydro-2,4-benzodioxepin-3-yl)acetonitrile CAS Name: 2-[3-(phenylmethyl)-1,5-dihydro-2,4-benzodioxepin-3-yl]acetonitrile IUPAC Name: 2-(3-benzyl-1,5-dihydro-2,4-benzodioxepin-3-yl)acetonitrile Traditional Name: 2-(3-benzyl-1,5-dihydro-2,4-benzodioxepin-3-yl)acetonitrile Formula: C18H17NO2 MolecularWeight: 279.33308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2COC(O1)(CC#N)CC3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2COC(O1)(CC#N)CC3=CC=CC=C3

InChI

InChI=1S/C18H17NO2/c19-11-10-18(12-15-6-2-1-3-7-15)20-13-16-8-4-5-9-17(16)14-21-18/h1-9H,10,12-14H2