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

Systemtic Name: 1-(1-benzofuran-5-yl)-2-methyl-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(benzofuran-5-yl)-2-methyl-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(5-benzofuranyl)-2-methyl-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(1-benzofuran-5-yl)-2-methyl-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(benzofuran-5-yl)-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-2-methyl-guanidine Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC1CCCCN(C1=O)CC(=O)N2CCCC2)NC3=CC4=C(C=C3)OC=C4

Isomeric SMILES

CN=C(NC1CCCCN(C1=O)CC(=O)N2CCCC2)NC3=CC4=C(C=C3)OC=C4

InChI

InChI=1S/C22H29N5O3/c1-23-22(24-17-7-8-19-16(14-17)9-13-30-19)25-18-6-2-3-12-27(21(18)29)15-20(28)26-10-4-5-11-26/h7-9,13-14,18H,2-6,10-12,15H2,1H3,(H2,23,24,25)