2-(2-methylspiro[2,5-dihydro-1,4-benzodioxepine-3,4'-piperidine]-1'-yl)ethanenitrile

Systemtic Name: 2-(2-methylspiro[2,5-dihydro-1,4-benzodioxepine-3,4'-piperidine]-1'-yl)ethanenitrile Openeye Name: 2-(2-methylspiro[2,5-dihydro-1,4-benzodioxepine-3,4'-piperidine]-1'-yl)acetonitrile CAS Name: 2-(2-methyl-1'-spiro[2,5-dihydro-1,4-benzodioxepin-3,4'-piperidine]yl)acetonitrile IUPAC Name: 2-(2-methylspiro[2,5-dihydro-1,4-benzodioxepine-3,4'-piperidine]-1'-yl)acetonitrile Traditional Name: 2-(2-methylspiro[2,5-dihydro-1,4-benzodioxepin-3,4'-piperidine]-1'-yl)acetonitrile Formula: C16H20N2O2 MolecularWeight: 272.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2(CCN(CC2)CC#N)OCC3=CC=CC=C3O1

Isomeric SMILES

CC1C2(CCN(CC2)CC#N)OCC3=CC=CC=C3O1

InChI

InChI=1S/C16H20N2O2/c1-13-16(6-9-18(10-7-16)11-8-17)19-12-14-4-2-3-5-15(14)20-13/h2-5,13H,6-7,9-12H2,1H3