N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-2-pyrrolidin-1-ylcarbonyl-pyridine-4-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]-2-pyrrolidin-1-ylcarbonyl-pyridine-4-carboxamide Openeye Name: N-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide CAS Name: N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-2-[oxo(1-pyrrolidinyl)methyl]-4-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]-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]-2-(pyrrolidine-1-carbonyl)isonicotinamide 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=CC(=NC=C5)C(=O)N6CCCC6

Isomeric SMILES

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

InChI

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