5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-4-ium-1-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-4-ium-1-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-4-ium-1-yl]benzofuran-2-carboxamide CAS Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazin-4-iumyl]-2-benzofurancarboxamide IUPAC Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-4-ium-1-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-4-ium-1-yl]coumarilamide Formula: C26H28N5O2+ MolecularWeight: 442.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N

InChI

InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)/p+1