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

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[3-(trifluoromethyl)phenyl]piperazino]pyridazin-3-one Formula: C21H18ClF3N4O MolecularWeight: 434.84203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClF3N4O/c22-19-18(14-26-29(20(19)30)16-6-2-1-3-7-16)28-11-9-27(10-12-28)17-8-4-5-15(13-17)21(23,24)25/h1-8,13-14H,9-12H2