4-chloranyl-2-phenyl-5-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-[2-(trifluoromethyl)-4-quinazolinyl]-1-piperazinyl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazino]pyridazin-3-one Formula: C23H18ClF3N6O MolecularWeight: 486.87683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=NC(=NC5=CC=CC=C54)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=NC(=NC5=CC=CC=C54)C(F)(F)F

InChI

InChI=1S/C23H18ClF3N6O/c24-19-18(14-28-33(21(19)34)15-6-2-1-3-7-15)31-10-12-32(13-11-31)20-16-8-4-5-9-17(16)29-22(30-20)23(25,26)27/h1-9,14H,10-13H2