N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-6-oxidanylidene-1H-pyridazine-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-oxidanylidene-1H-pyridazine-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-oxo-1H-pyridazine-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-1H-pyridazine-3-carboxamide 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-oxo-1H-pyridazine-3-carboxamide Traditional Name: 6-keto-N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]-1H-pyridazine-3-carboxamide Formula: C27H31N7O5 MolecularWeight: 533.57894

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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=NNC(=O)C=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H31N7O5/c1-17-14-18-15-19(7-9-22(18)39-17)28-27(30-25(37)20-8-10-23(35)32-31-20)29-21-6-2-3-13-34(26(21)38)16-24(36)33-11-4-5-12-33/h7-10,14-15,21H,2-6,11-13,16H2,1H3,(H,32,35)(H2,28,29,30,37)