3-[[4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-3-methyl-phenyl]-ethyl-amino]propanenitrile

Systemtic Name: 3-[[4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-3-methyl-phenyl]-ethyl-amino]propanenitrile Openeye Name: 3-[4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-N-ethyl-3-methyl-anilino]propanenitrile CAS Name: 3-[4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-N-ethyl-3-methylanilino]propanenitrile IUPAC Name: 3-[4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-N-ethyl-3-methylanilino]propanenitrile Traditional Name: 3-[4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-N-ethyl-3-methyl-anilino]propionitrile Formula: C22H27N3O2 MolecularWeight: 365.46868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC(=C(C=C1)CNCC2COC3=CC=CC=C3O2)C

Isomeric SMILES

CCN(CCC#N)C1=CC(=C(C=C1)CNCC2COC3=CC=CC=C3O2)C

InChI

InChI=1S/C22H27N3O2/c1-3-25(12-6-11-23)19-10-9-18(17(2)13-19)14-24-15-20-16-26-21-7-4-5-8-22(21)27-20/h4-5,7-10,13,20,24H,3,6,12,14-16H2,1-2H3