(2-phenylcyclopropyl)-[4-[[[5-(2-phenylethynyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone

Systemtic Name: (2-phenylcyclopropyl)-[4-[[[5-(2-phenylethynyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone Openeye Name: (2-phenylcyclopropyl)-[4-[[[5-(2-phenylethynyl)pyrimidin-2-yl]amino]methyl]-1-piperidyl]methanone CAS Name: (2-phenylcyclopropyl)-[4-[[[5-(2-phenylethynyl)-2-pyrimidinyl]amino]methyl]-1-piperidinyl]methanone IUPAC Name: (2-phenylcyclopropyl)-[4-[[[5-(2-phenylethynyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone Traditional Name: (2-phenylcyclopropyl)-[4-[[[5-(2-phenylethynyl)pyrimidin-2-yl]amino]methyl]piperidino]methanone Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=C(C=N2)C#CC3=CC=CC=C3)C(=O)C4CC4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CNC2=NC=C(C=N2)C#CC3=CC=CC=C3)C(=O)C4CC4C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O/c33-27(26-17-25(26)24-9-5-2-6-10-24)32-15-13-22(14-16-32)18-29-28-30-19-23(20-31-28)12-11-21-7-3-1-4-8-21/h1-10,19-20,22,25-26H,13-18H2,(H,29,30,31)