N-[4-[2-[4-(oxidanylcarbamoyl)phenyl]ethynyl]piperidin-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[2-[4-(oxidanylcarbamoyl)phenyl]ethynyl]piperidin-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]-4-piperidyl]benzofuran-2-carboxamide CAS Name: N-[4-[2-[4-[(hydroxyamino)-oxomethyl]phenyl]ethynyl]-4-piperidinyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]piperidin-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]-4-piperidyl]coumarilamide Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C#CC2=CC=C(C=C2)C(=O)NO)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CNCCC1(C#CC2=CC=C(C=C2)C(=O)NO)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H21N3O4/c27-21(26-29)17-7-5-16(6-8-17)9-10-23(11-13-24-14-12-23)25-22(28)20-15-18-3-1-2-4-19(18)30-20/h1-8,15,24,29H,11-14H2,(H,25,28)(H,26,27)