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

Systemtic Name: 2-[4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6-phenyl-pyridazin-3-one Openeye Name: 2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6-phenyl-pyridazin-3-one CAS Name: 2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6-phenylpyridazin-3-one Traditional Name: 2-[4-keto-4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]-6-phenyl-pyridazin-3-one Formula: C25H25F3N4O2 MolecularWeight: 470.48681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCN3C(=O)C=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCN3C(=O)C=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H25F3N4O2/c26-25(27,28)20-8-4-9-21(18-20)30-14-16-31(17-15-30)23(33)10-5-13-32-24(34)12-11-22(29-32)19-6-2-1-3-7-19/h1-4,6-9,11-12,18H,5,10,13-17H2