3-phenyl-5-[4-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-pyridazin-6-one

Systemtic Name: 3-phenyl-5-[4-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-pyridazin-6-one Openeye Name: 3-phenyl-5-[4-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-pyridazin-6-one CAS Name: 3-phenyl-5-[4-[2-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butyl]-1H-pyridazin-6-one IUPAC Name: 3-phenyl-5-[4-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-pyridazin-6-one Traditional Name: 3-phenyl-5-[4-[2-[3-(trifluoromethyl)phenyl]piperazino]butyl]-1H-pyridazin-6-one Formula: C25H27F3N4O MolecularWeight: 456.50329

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2=CC(=CC=C2)C(F)(F)F)CCCCC3=CC(=NNC3=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1)C2=CC(=CC=C2)C(F)(F)F)CCCCC3=CC(=NNC3=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27F3N4O/c26-25(27,28)21-11-6-10-19(15-21)23-17-29-12-14-32(23)13-5-4-9-20-16-22(30-31-24(20)33)18-7-2-1-3-8-18/h1-3,6-8,10-11,15-16,23,29H,4-5,9,12-14,17H2,(H,31,33)