N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]cyclopentene-1-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]cyclopentene-1-carboxamide Openeye Name: N-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]cyclopentene-1-carboxamide CAS Name: N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-1-cyclopentenecarboxamide IUPAC Name: N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]cyclopentene-1-carboxamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]cyclopentene-1-carboxamide Formula: C28H35N5O4 MolecularWeight: 505.6086

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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=CCCC5

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CCCC5

InChI

InChI=1S/C28H35N5O4/c1-19-16-21-17-22(11-12-24(21)37-19)29-28(31-26(35)20-8-2-3-9-20)30-23-10-4-5-15-33(27(23)36)18-25(34)32-13-6-7-14-32/h8,11-12,16-17,23H,2-7,9-10,13-15,18H2,1H3,(H2,29,30,31,35)