[4-(6-phenylazanylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-(6-phenylazanylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone Openeye Name: [4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone CAS Name: [4-(6-anilino-3-pyridazinyl)-1-piperazinyl]-[3-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone Traditional Name: [4-(6-anilinopyridazin-3-yl)piperazino]-[3-(trifluoromethyl)phenyl]methanone Formula: C22H20F3N5O MolecularWeight: 427.42231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)NC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)NC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H20F3N5O/c23-22(24,25)17-6-4-5-16(15-17)21(31)30-13-11-29(12-14-30)20-10-9-19(27-28-20)26-18-7-2-1-3-8-18/h1-10,15H,11-14H2,(H,26,27)