2-[[(2-methyl-1-benzofuran-5-yl)amino]-[[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azocan-3-yl]amino]methylidene]propanedinitrile

Systemtic Name: 2-[[(2-methyl-1-benzofuran-5-yl)amino]-[[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azocan-3-yl]amino]methylidene]propanedinitrile Openeye Name: 2-[[(2-methylbenzofuran-5-yl)amino]-[[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azocan-3-yl]amino]methylene]propanedinitrile CAS Name: 2-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azocanyl]amino]methylidene]propanedinitrile IUPAC Name: 2-[[(2-methyl-1-benzofuran-5-yl)amino]-[[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azocan-3-yl]amino]methylidene]propanedinitrile Traditional Name: 2-[[[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azocan-3-yl]amino]-[(2-methylbenzofuran-5-yl)amino]methylene]malononitrile Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=C(C#N)C#N)NC3CCCCCN(C3=O)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=C(C#N)C#N)NC3CCCCCN(C3=O)CC(=O)N4CCCC4

InChI

InChI=1S/C26H30N6O3/c1-18-13-19-14-21(8-9-23(19)35-18)29-25(20(15-27)16-28)30-22-7-3-2-4-12-32(26(22)34)17-24(33)31-10-5-6-11-31/h8-9,13-14,22,29-30H,2-7,10-12,17H2,1H3