4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-(methoxymethyl)-2-phenyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide

Systemtic Name: 4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-(methoxymethyl)-2-phenyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Openeye Name: 4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-(methoxymethyl)-2-phenyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenyl-4-pyrimidinyl]-N-ethyl-1-piperazinecarboxamide IUPAC Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[5-(2-chloro-6-fluoro-benzyl)-6-(methoxymethyl)-2-phenyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Formula: C26H29ClFN5O2 MolecularWeight: 497.992163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC=C3Cl)F)COC)C4=CC=CC=C4

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC=C3Cl)F)COC)C4=CC=CC=C4

InChI

InChI=1S/C26H29ClFN5O2/c1-3-29-26(34)33-14-12-32(13-15-33)25-20(16-19-21(27)10-7-11-22(19)28)23(17-35-2)30-24(31-25)18-8-5-4-6-9-18/h4-11H,3,12-17H2,1-2H3,(H,29,34)