N-(3-chloranyl-4-cyano-phenyl)-4-(4-hydroxyphenyl)-2-(oxan-4-yl)-2-oxidanyl-but-3-ynamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-4-(4-hydroxyphenyl)-2-(oxan-4-yl)-2-oxidanyl-but-3-ynamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-hydroxy-4-(4-hydroxyphenyl)-2-tetrahydropyran-4-yl-but-3-ynamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-(4-hydroxyphenyl)-2-(4-oxanyl)-3-butynamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-(4-hydroxyphenyl)-2-(oxan-4-yl)but-3-ynamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-hydroxy-4-(4-hydroxyphenyl)-2-tetrahydropyran-4-yl-but-3-ynamide Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(C#CC2=CC=C(C=C2)O)(C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

Isomeric SMILES

C1COCCC1C(C#CC2=CC=C(C=C2)O)(C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

InChI

InChI=1S/C22H19ClN2O4/c23-20-13-18(4-3-16(20)14-24)25-21(27)22(28,17-8-11-29-12-9-17)10-7-15-1-5-19(26)6-2-15/h1-6,13,17,26,28H,8-9,11-12H2,(H,25,27)