4-[2-(1-oxidanylcyclohexyl)ethynyl]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 4-[2-(1-oxidanylcyclohexyl)ethynyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-(4-pyridylmethyl)benzamide CAS Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]-N-(4-pyridylmethyl)benzamide Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)O

InChI

InChI=1S/C21H22N2O2/c24-20(23-16-18-9-14-22-15-10-18)19-6-4-17(5-7-19)8-13-21(25)11-2-1-3-12-21/h4-7,9-10,14-15,25H,1-3,11-12,16H2,(H,23,24)