N-(3-chloranyl-4-cyano-phenyl)-2,5-bis(oxidanyl)-2-piperidin-4-yl-pent-3-ynamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2,5-bis(oxidanyl)-2-piperidin-4-yl-pent-3-ynamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2,5-dihydroxy-2-(4-piperidyl)pent-3-ynamide CAS Name: N-(3-chloro-4-cyanophenyl)-2,5-dihydroxy-2-(4-piperidinyl)-3-pentynamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2,5-dihydroxy-2-piperidin-4-ylpent-3-ynamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2,5-dihydroxy-2-(4-piperidyl)pent-3-ynamide Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C#CCO)(C(=O)NC2=CC(=C(C=C2)C#N)Cl)O

Isomeric SMILES

C1CNCCC1C(C#CCO)(C(=O)NC2=CC(=C(C=C2)C#N)Cl)O

InChI

InChI=1S/C17H18ClN3O3/c18-15-10-14(3-2-12(15)11-19)21-16(23)17(24,6-1-9-22)13-4-7-20-8-5-13/h2-3,10,13,20,22,24H,4-5,7-9H2,(H,21,23)