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

Systemtic Name: 1-(1H-benzimidazol-2-yl)-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(1H-benzimidazol-2-yl)-3-(2-methylbenzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(1H-benzimidazol-2-yl)-3-(2-methyl-5-benzofuranyl)-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(1H-benzimidazol-2-yl)-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(1H-benzimidazol-2-yl)-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3-(2-methylbenzofuran-5-yl)guanidine Formula: C29H33N7O3 MolecularWeight: 527.61742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC5=NC6=CC=CC=C6N5

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C29H33N7O3/c1-19-16-20-17-21(11-12-25(20)39-19)30-28(34-29-31-22-8-2-3-9-23(22)32-29)33-24-10-4-5-15-36(27(24)38)18-26(37)35-13-6-7-14-35/h2-3,8-9,11-12,16-17,24H,4-7,10,13-15,18H2,1H3,(H3,30,31,32,33,34)