N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-oxidanyl-cyclohexyl]pyridine-2-carboxamide

Systemtic Name: N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-oxidanyl-cyclohexyl]pyridine-2-carboxamide Openeye Name: N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxy-cyclohexyl]pyridine-2-carboxamide CAS Name: N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxycyclohexyl]-2-pyridinecarboxamide IUPAC Name: N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxycyclohexyl]pyridine-2-carboxamide Traditional Name: N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxy-cyclohexyl]picolinamide Formula: C20H19ClN2O2 MolecularWeight: 354.83006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(C#CC2=CC(=CC=C2)Cl)O)NC(=O)C3=CC=CC=N3

Isomeric SMILES

C1C[C@@H](C[C@@](C1)(C#CC2=CC(=CC=C2)Cl)O)NC(=O)C3=CC=CC=N3

InChI

InChI=1S/C20H19ClN2O2/c21-16-6-3-5-15(13-16)9-11-20(25)10-4-7-17(14-20)23-19(24)18-8-1-2-12-22-18/h1-3,5-6,8,12-13,17,25H,4,7,10,14H2,(H,23,24)/t17-,20+/m0/s1