2-[1-[2-[[5-(azepan-1-ylmethyl)furan-2-yl]-methyl-amino]ethyl]imidazolidin-2-ylidene]propanedinitrile

Systemtic Name: 2-[1-[2-[[5-(azepan-1-ylmethyl)furan-2-yl]-methyl-amino]ethyl]imidazolidin-2-ylidene]propanedinitrile Openeye Name: 2-[1-[2-[[5-(azepan-1-ylmethyl)-2-furyl]-methyl-amino]ethyl]imidazolidin-2-ylidene]propanedinitrile CAS Name: 2-[1-[2-[[5-(1-azepanylmethyl)-2-furanyl]-methylamino]ethyl]-2-imidazolidinylidene]propanedinitrile IUPAC Name: 2-[1-[2-[[5-(azepan-1-ylmethyl)furan-2-yl]-methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile Traditional Name: 2-[1-[2-[[5-(azepan-1-ylmethyl)-2-furyl]-methyl-amino]ethyl]imidazolidin-2-ylidene]malononitrile Formula: C20H28N6O MolecularWeight: 368.47592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCNC1=C(C#N)C#N)C2=CC=C(O2)CN3CCCCCC3

Isomeric SMILES

CN(CCN1CCNC1=C(C#N)C#N)C2=CC=C(O2)CN3CCCCCC3

InChI

InChI=1S/C20H28N6O/c1-24(12-13-26-11-8-23-20(26)17(14-21)15-22)19-7-6-18(27-19)16-25-9-4-2-3-5-10-25/h6-7,23H,2-5,8-13,16H2,1H3