N-[N-(3-acetamidophenyl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide

Systemtic Name: N-[N-(3-acetamidophenyl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide Openeye Name: N-[N-(3-acetamidophenyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide CAS Name: N-[(3-acetamidoanilino)-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]benzamide IUPAC Name: N-[N-(3-acetamidophenyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]benzamide Traditional Name: N-[N-(3-acetamidophenyl)-N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]amidino]benzamide Formula: C28H34N6O4 MolecularWeight: 518.60736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H34N6O4/c1-20(35)29-22-12-9-13-23(18-22)30-28(32-26(37)21-10-3-2-4-11-21)31-24-14-5-6-17-34(27(24)38)19-25(36)33-15-7-8-16-33/h2-4,9-13,18,24H,5-8,14-17,19H2,1H3,(H,29,35)(H2,30,31,32,37)