N-[N-(4-methoxy-3-oxidanyl-phenyl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide

Systemtic Name: N-[N-(4-methoxy-3-oxidanyl-phenyl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide Openeye Name: N-[N-(3-hydroxy-4-methoxy-phenyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide CAS Name: N-[(3-hydroxy-4-methoxyanilino)-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]benzamide IUPAC Name: N-[N-(3-hydroxy-4-methoxyphenyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]benzamide Traditional Name: N-[N-(3-hydroxy-4-methoxy-phenyl)-N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]amidino]benzamide Formula: C27H33N5O5 MolecularWeight: 507.58142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC(=O)C4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C27H33N5O5/c1-37-23-13-12-20(17-22(23)33)28-27(30-25(35)19-9-3-2-4-10-19)29-21-11-5-6-16-32(26(21)36)18-24(34)31-14-7-8-15-31/h2-4,9-10,12-13,17,21,33H,5-8,11,14-16,18H2,1H3,(H2,28,29,30,35)