(4-fluorophenyl)-[4-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperazin-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperazin-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-[3-(pyrimidin-2-ylamino)benzoyl]piperazin-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]-1-piperazinyl]methanone IUPAC Name: (4-fluorophenyl)-[4-[3-(pyrimidin-2-ylamino)benzoyl]piperazin-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-[3-(2-pyrimidylamino)benzoyl]piperazino]methanone Formula: C22H20FN5O2 MolecularWeight: 405.424903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C22H20FN5O2/c23-18-7-5-16(6-8-18)20(29)27-11-13-28(14-12-27)21(30)17-3-1-4-19(15-17)26-22-24-9-2-10-25-22/h1-10,15H,11-14H2,(H,24,25,26)