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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O2/c21-17-6-1-4-15(12-17)8-10-20(25)9-2-7-18(13-20)23-19(24)16-5-3-11-22-14-16/h1,3-6,11-12,14,18,25H,2,7,9,13H2,(H,23,24)/t18-,20+/m0/s1