1-ethanoyl-N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]piperidine-4-carboxamide

Systemtic Name: 1-ethanoyl-N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]isonipecotamide Formula: C30H40N6O5 MolecularWeight: 564.6758

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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)C5CCN(CC5)C(=O)C

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5CCN(CC5)C(=O)C

InChI

InChI=1S/C30H40N6O5/c1-20-17-23-18-24(8-9-26(23)41-20)31-30(33-28(39)22-10-15-34(16-11-22)21(2)37)32-25-7-3-4-14-36(29(25)40)19-27(38)35-12-5-6-13-35/h8-9,17-18,22,25H,3-7,10-16,19H2,1-2H3,(H2,31,32,33,39)