4-[2-(4-piperidin-1-ylphenyl)ethynyl]isoquinoline

Systemtic Name: 4-[2-(4-piperidin-1-ylphenyl)ethynyl]isoquinoline Openeye Name: 4-[2-[4-(1-piperidyl)phenyl]ethynyl]isoquinoline CAS Name: 4-[2-[4-(1-piperidinyl)phenyl]ethynyl]isoquinoline IUPAC Name: 4-[2-(4-piperidin-1-ylphenyl)ethynyl]isoquinoline Traditional Name: 4-[2-(4-piperidinophenyl)ethynyl]isoquinoline Formula: C22H20N2 MolecularWeight: 312.4076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C#CC3=CN=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C#CC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C22H20N2/c1-4-14-24(15-5-1)21-12-9-18(10-13-21)8-11-20-17-23-16-19-6-2-3-7-22(19)20/h2-3,6-7,9-10,12-13,16-17H,1,4-5,14-15H2