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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCNC1=C(C#N)C#N)C2=CC=C(O2)CC3CCCCCN3

Isomeric SMILES

CN(CCN1CCNC1=C(C#N)C#N)C2=CC=C(O2)CC3CCCCCN3

InChI

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