N-(4-fluorophenyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine

Systemtic Name: N-(4-fluorophenyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine Openeye Name: N-(4-fluorophenyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine CAS Name: N-(4-fluorophenyl)-1-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]-3-piperidinamine IUPAC Name: N-(4-fluorophenyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine Traditional Name: (4-fluorophenyl)-[1-[4-[2-(5-pyrimidyl)ethynyl]benzyl]-3-piperidyl]amine Formula: C24H23FN4 MolecularWeight: 386.464623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)C#CC3=CN=CN=C3)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)C#CC3=CN=CN=C3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN4/c25-22-9-11-23(12-10-22)28-24-2-1-13-29(17-24)16-20-6-3-19(4-7-20)5-8-21-14-26-18-27-15-21/h3-4,6-7,9-12,14-15,18,24,28H,1-2,13,16-17H2