3-[2-(1-oxidanylcyclohexyl)ethynyl]-1-pentyl-quinolin-4-one

Systemtic Name: 3-[2-(1-oxidanylcyclohexyl)ethynyl]-1-pentyl-quinolin-4-one Openeye Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]-1-pentyl-quinolin-4-one CAS Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]-1-pentyl-4-quinolinone IUPAC Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]-1-pentylquinolin-4-one Traditional Name: 1-amyl-3-[2-(1-hydroxycyclohexyl)ethynyl]-4-quinolone Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C(=O)C2=CC=CC=C21)C#CC3(CCCCC3)O

Isomeric SMILES

CCCCCN1C=C(C(=O)C2=CC=CC=C21)C#CC3(CCCCC3)O

InChI

InChI=1S/C22H27NO2/c1-2-3-9-16-23-17-18(12-15-22(25)13-7-4-8-14-22)21(24)19-10-5-6-11-20(19)23/h5-6,10-11,17,25H,2-4,7-9,13-14,16H2,1H3