3-(3-fluorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(3-fluorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-fluorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoxazole-5-carboxamide CAS Name: 3-(3-fluorophenyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-5-isoxazolecarboxamide IUPAC Name: 3-(3-fluorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-fluorophenyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]isoxazole-5-carboxamide Formula: C21H23FN6O2 MolecularWeight: 410.444723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC(=NO2)C3=CC(=CC=C3)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC(=NO2)C3=CC(=CC=C3)F)C4=NC=CC=N4

InChI

InChI=1S/C21H23FN6O2/c22-17-5-1-4-16(14-17)18-15-19(30-26-18)20(29)23-8-3-9-27-10-12-28(13-11-27)21-24-6-2-7-25-21/h1-2,4-7,14-15H,3,8-13H2,(H,23,29)