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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-4-(3-methoxyphenyl)-2-(oxan-4-yl)-2-oxidanyl-but-3-ynamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-hydroxy-4-(3-methoxyphenyl)-2-tetrahydropyran-4-yl-but-3-ynamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-(3-methoxyphenyl)-2-(4-oxanyl)-3-butynamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-(3-methoxyphenyl)-2-(oxan-4-yl)but-3-ynamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-hydroxy-4-(3-methoxyphenyl)-2-tetrahydropyran-4-yl-but-3-ynamide Formula: C23H21ClN2O4 MolecularWeight: 424.87684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C#CC(C2CCOCC2)(C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

Isomeric SMILES

COC1=CC=CC(=C1)C#CC(C2CCOCC2)(C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

InChI

InChI=1S/C23H21ClN2O4/c1-29-20-4-2-3-16(13-20)7-10-23(28,18-8-11-30-12-9-18)22(27)26-19-6-5-17(15-25)21(24)14-19/h2-6,13-14,18,28H,8-9,11-12H2,1H3,(H,26,27)