1-[6-[3-[2-(4-methoxyphenyl)ethynyl]phenyl]hex-5-ynyl]piperidin-2-one

Systemtic Name: 1-[6-[3-[2-(4-methoxyphenyl)ethynyl]phenyl]hex-5-ynyl]piperidin-2-one Openeye Name: 1-[6-[3-[2-(4-methoxyphenyl)ethynyl]phenyl]hex-5-ynyl]piperidin-2-one CAS Name: 1-[6-[3-[2-(4-methoxyphenyl)ethynyl]phenyl]hex-5-ynyl]-2-piperidinone IUPAC Name: 1-[6-[3-[2-(4-methoxyphenyl)ethynyl]phenyl]hex-5-ynyl]piperidin-2-one Traditional Name: 1-[6-[3-[2-(4-methoxyphenyl)ethynyl]phenyl]hex-5-ynyl]-2-piperidone Formula: C26H27NO2 MolecularWeight: 385.49808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=CC(=CC=C2)C#CCCCCN3CCCCC3=O

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=CC(=CC=C2)C#CCCCCN3CCCCC3=O

InChI

InChI=1S/C26H27NO2/c1-29-25-17-15-22(16-18-25)13-14-24-11-8-10-23(21-24)9-4-2-3-6-19-27-20-7-5-12-26(27)28/h8,10-11,15-18,21H,2-3,5-7,12,19-20H2,1H3