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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(oxan-4-yl)-2,5-bis(oxidanyl)pent-3-ynamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2,5-dihydroxy-2-tetrahydropyran-4-yl-pent-3-ynamide CAS Name: N-(3-chloro-4-cyanophenyl)-2,5-dihydroxy-2-(4-oxanyl)-3-pentynamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2,5-dihydroxy-2-(oxan-4-yl)pent-3-ynamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2,5-dihydroxy-2-tetrahydropyran-4-yl-pent-3-ynamide Formula: C17H17ClN2O4 MolecularWeight: 348.78088

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(C#CCO)(C(=O)NC2=CC(=C(C=C2)C#N)Cl)O

Isomeric SMILES

C1COCCC1C(C#CCO)(C(=O)NC2=CC(=C(C=C2)C#N)Cl)O

InChI

InChI=1S/C17H17ClN2O4/c18-15-10-14(3-2-12(15)11-19)20-16(22)17(23,6-1-7-21)13-4-8-24-9-5-13/h2-3,10,13,21,23H,4-5,7-9H2,(H,20,22)