2-[1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]-3-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-[4-[2-(5-pyrimidyl)ethynyl]benzyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C27H28N4 MolecularWeight: 408.53802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)C#CC3=CN=CN=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)C#CC3=CN=CN=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H28N4/c1-2-5-26-19-31(15-13-25(26)4-1)27-6-3-14-30(20-27)18-23-10-7-22(8-11-23)9-12-24-16-28-21-29-17-24/h1-2,4-5,7-8,10-11,16-17,21,27H,3,6,13-15,18-20H2