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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine Openeye Name: 1-[(4-chlorophenyl)methyl]-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine CAS Name: 1-[(4-chlorophenyl)methyl]-N-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]-3-piperidinamine IUPAC Name: 1-[(4-chlorophenyl)methyl]-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine Traditional Name: [1-(4-chlorobenzyl)-3-piperidyl]-[4-[2-(5-pyrimidyl)ethynyl]benzyl]amine Formula: C25H25ClN4 MolecularWeight: 416.9458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)Cl)NCC3=CC=C(C=C3)C#CC4=CN=CN=C4

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)Cl)NCC3=CC=C(C=C3)C#CC4=CN=CN=C4

InChI

InChI=1S/C25H25ClN4/c26-24-11-9-22(10-12-24)17-30-13-1-2-25(18-30)29-16-21-6-3-20(4-7-21)5-8-23-14-27-19-28-15-23/h3-4,6-7,9-12,14-15,19,25,29H,1-2,13,16-18H2