1-[[4-fluoranyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phenyl]methyl]cinnolin-4-one

Systemtic Name: 1-[[4-fluoranyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phenyl]methyl]cinnolin-4-one Openeye Name: 1-[[4-fluoro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]cinnolin-4-one CAS Name: 1-[[4-fluoro-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]-4-cinnolinone IUPAC Name: 1-[[4-fluoro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]cinnolin-4-one Traditional Name: 1-[4-fluoro-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzyl]cinnolin-4-one Formula: C24H21FN6O2 MolecularWeight: 444.460943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)CN4C5=CC=CC=C5C(=O)C=N4)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)CN4C5=CC=CC=C5C(=O)C=N4)F

InChI

InChI=1S/C24H21FN6O2/c25-20-7-6-17(16-31-21-5-2-1-4-18(21)22(32)15-28-31)14-19(20)23(33)29-10-12-30(13-11-29)24-26-8-3-9-27-24/h1-9,14-15H,10-13,16H2