N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-6-pyrrolidin-1-ylcarbonyl-pyridine-3-carboxamide

Systemtic Name: N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-6-pyrrolidin-1-ylcarbonyl-pyridine-3-carboxamide Openeye Name: N-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide CAS Name: N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-6-[oxo(1-pyrrolidinyl)methyl]-3-pyridinecarboxamide IUPAC Name: N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]-6-(pyrrolidine-1-carbonyl)nicotinamide Formula: C33H39N7O5 MolecularWeight: 613.70666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CN=C(C=C5)C(=O)N6CCCC6

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CN=C(C=C5)C(=O)N6CCCC6

InChI

InChI=1S/C33H39N7O5/c1-22-18-24-19-25(10-12-28(24)45-22)35-33(37-30(42)23-9-11-26(34-20-23)31(43)39-15-6-7-16-39)36-27-8-2-3-17-40(32(27)44)21-29(41)38-13-4-5-14-38/h9-12,18-20,27H,2-8,13-17,21H2,1H3,(H2,35,36,37,42)