2-[(1-benzofuran-5-ylamino)-[[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]amino]methylidene]propanedinitrile

Systemtic Name: 2-[(1-benzofuran-5-ylamino)-[[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]amino]methylidene]propanedinitrile Openeye Name: 2-[(benzofuran-5-ylamino)-[[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]amino]methylene]propanedinitrile CAS Name: 2-[(5-benzofuranylamino)-[[(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]amino]methylidene]propanedinitrile IUPAC Name: 2-[(1-benzofuran-5-ylamino)-[[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino]methylidene]propanedinitrile Traditional Name: 2-[(benzofuran-5-ylamino)-[[(3S)-2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]amino]methylene]malononitrile Formula: C24H26N6O3 MolecularWeight: 446.50164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=C(C#N)C#N)NC2=CC3=C(C=C2)OC=C3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NC(=C(C#N)C#N)NC2=CC3=C(C=C2)OC=C3)CC(=O)N4CCCC4

InChI

InChI=1S/C24H26N6O3/c25-14-18(15-26)23(27-19-6-7-21-17(13-19)8-12-33-21)28-20-5-1-2-11-30(24(20)32)16-22(31)29-9-3-4-10-29/h6-8,12-13,20,27-28H,1-5,9-11,16H2/t20-/m0/s1