5-chloranyl-N-[[1-(cyanomethyl)-3-oxidanyl-piperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: 5-chloranyl-N-[[1-(cyanomethyl)-3-oxidanyl-piperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: 5-chloro-N-[[1-(cyanomethyl)-3-hydroxy-4-piperidyl]methyl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: 5-chloro-N-[[1-(cyanomethyl)-3-hydroxy-4-piperidinyl]methyl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: 5-chloro-N-[[1-(cyanomethyl)-3-hydroxypiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: 5-chloro-N-[[1-(cyanomethyl)-3-hydroxy-4-piperidyl]methyl]coumaran-7-carboxamide Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1CNC(=O)C2=CC(=CC3=C2OCC3)Cl)O)CC#N

Isomeric SMILES

C1CN(CC(C1CNC(=O)C2=CC(=CC3=C2OCC3)Cl)O)CC#N

InChI

InChI=1S/C17H20ClN3O3/c18-13-7-11-2-6-24-16(11)14(8-13)17(23)20-9-12-1-4-21(5-3-19)10-15(12)22/h7-8,12,15,22H,1-2,4-6,9-10H2,(H,20,23)