10-[2-(4-piperidin-1-ylphenyl)ethynyl]anthracene-9-carbonitrile

Systemtic Name: 10-[2-(4-piperidin-1-ylphenyl)ethynyl]anthracene-9-carbonitrile Openeye Name: 10-[2-[4-(1-piperidyl)phenyl]ethynyl]anthracene-9-carbonitrile CAS Name: 10-[2-[4-(1-piperidinyl)phenyl]ethynyl]-9-anthracenecarbonitrile IUPAC Name: 10-[2-(4-piperidin-1-ylphenyl)ethynyl]anthracene-9-carbonitrile Traditional Name: 10-[2-(4-piperidinophenyl)ethynyl]anthracene-9-carbonitrile Formula: C28H22N2 MolecularWeight: 386.48768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C#CC3=C4C=CC=CC4=C(C5=CC=CC=C53)C#N

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C#CC3=C4C=CC=CC4=C(C5=CC=CC=C53)C#N

InChI

InChI=1S/C28H22N2/c29-20-28-25-10-4-2-8-23(25)27(24-9-3-5-11-26(24)28)17-14-21-12-15-22(16-13-21)30-18-6-1-7-19-30/h2-5,8-13,15-16H,1,6-7,18-19H2