1-cyano-3-(2-cyano-1-benzofuran-5-yl)-2-[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-cyano-3-(2-cyano-1-benzofuran-5-yl)-2-[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-cyano-3-(2-cyanobenzofuran-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-cyano-3-(2-cyano-5-benzofuranyl)-2-[(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-cyano-3-(2-cyano-1-benzofuran-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-cyano-3-(2-cyanobenzofuran-5-yl)-2-[(3S)-2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C23H25N7O3 MolecularWeight: 447.4897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7O3/c24-13-18-12-16-11-17(6-7-20(16)33-18)27-23(26-15-25)28-19-5-1-2-10-30(22(19)32)14-21(31)29-8-3-4-9-29/h6-7,11-12,19H,1-5,8-10,14H2,(H2,26,27,28)/t19-/m0/s1