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

Systemtic Name: 2-[4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6-thiophen-2-yl-pyridazin-3-one Openeye Name: 2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6-(2-thienyl)pyridazin-3-one CAS Name: 2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butyl]-6-thiophen-2-yl-3-pyridazinone IUPAC Name: 2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6-thiophen-2-ylpyridazin-3-one Traditional Name: 2-[4-keto-4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]-6-(2-thienyl)pyridazin-3-one Formula: C23H23F3N4O2S MolecularWeight: 476.51453

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=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCN3C(=O)C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C23H23F3N4O2S/c24-23(25,26)17-4-1-5-18(16-17)28-11-13-29(14-12-28)21(31)7-2-10-30-22(32)9-8-19(27-30)20-6-3-15-33-20/h1,3-6,8-9,15-16H,2,7,10-14H2