3-[4-[3-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-[3-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[oxo-[4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C17H15F3N4O3 MolecularWeight: 380.32121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)C3=NNC(=O)C=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C17H15F3N4O3/c18-17(19,20)12-3-1-2-11(10-12)15(26)23-6-8-24(9-7-23)16(27)13-4-5-14(25)22-21-13/h1-5,10H,6-9H2,(H,22,25)