2-[4-[9-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]-9-oxidanylidene-nonanoyl]piperazin-1-yl]carbonyl-1-benzofuran-5-carboximidamide

Systemtic Name: 2-[4-[9-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]-9-oxidanylidene-nonanoyl]piperazin-1-yl]carbonyl-1-benzofuran-5-carboximidamide Openeye Name: 2-[4-[9-[4-(5-carbamimidoylbenzofuran-2-carbonyl)piperazin-1-yl]-9-oxo-nonanoyl]piperazine-1-carbonyl]benzofuran-5-carboxamidine CAS Name: 2-[[4-[9-[4-[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]-1-piperazinyl]-1,9-dioxononyl]-1-piperazinyl]-oxomethyl]-5-benzofurancarboximidamide IUPAC Name: 2-[4-[9-[4-(5-carbamimidoyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-9-oxononanoyl]piperazine-1-carbonyl]-1-benzofuran-5-carboximidamide Traditional Name: 2-[4-[9-[4-(5-amidinobenzofuran-2-carbonyl)piperazino]-9-keto-nonanoyl]piperazine-1-carbonyl]benzofuran-5-carboxamidine Formula: C37H44N8O6 MolecularWeight: 696.79526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCCCCCC(=O)N2CCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)C5=CC6=C(O5)C=CC(=C6)C(=N)N

Isomeric SMILES

C1CN(CCN1C(=O)CCCCCCCC(=O)N2CCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)C5=CC6=C(O5)C=CC(=C6)C(=N)N

InChI

InChI=1S/C37H44N8O6/c38-34(39)24-8-10-28-26(20-24)22-30(50-28)36(48)44-16-12-42(13-17-44)32(46)6-4-2-1-3-5-7-33(47)43-14-18-45(19-15-43)37(49)31-23-27-21-25(35(40)41)9-11-29(27)51-31/h8-11,20-23H,1-7,12-19H2,(H3,38,39)(H3,40,41)