5-chloranyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one CAS Name: 5-chloro-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one Traditional Name: 5-chloro-4-[4-[3-(trifluoromethyl)benzyl]piperazino]-1H-pyridazin-6-one Formula: C16H16ClF3N4O MolecularWeight: 372.77265

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C3=C(C(=O)NN=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C3=C(C(=O)NN=C3)Cl

InChI

InChI=1S/C16H16ClF3N4O/c17-14-13(9-21-22-15(14)25)24-6-4-23(5-7-24)10-11-2-1-3-12(8-11)16(18,19)20/h1-3,8-9H,4-7,10H2,(H,22,25)