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

Systemtic Name: 1-cyano-3-(2-ethanoyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(2-acetylbenzofuran-5-yl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(2-acetyl-5-benzofuranyl)-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(2-acetyl-1-benzofuran-5-yl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(2-acetylbenzofuran-5-yl)-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C24H28N6O4 MolecularWeight: 464.51692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

Isomeric SMILES

CC(=O)C1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

InChI

InChI=1S/C24H28N6O4/c1-16(31)21-13-17-12-18(7-8-20(17)34-21)27-24(26-15-25)28-19-6-2-3-11-30(23(19)33)14-22(32)29-9-4-5-10-29/h7-8,12-13,19H,2-6,9-11,14H2,1H3,(H2,26,27,28)