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

Systemtic Name: 3-methyl-5-[4-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-pyridazin-6-one Openeye Name: 3-methyl-5-[4-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-pyridazin-6-one CAS Name: 3-methyl-5-[4-[2-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butyl]-1H-pyridazin-6-one IUPAC Name: 3-methyl-5-[4-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-pyridazin-6-one Traditional Name: 3-methyl-5-[4-[2-[3-(trifluoromethyl)phenyl]piperazino]butyl]-1H-pyridazin-6-one Formula: C20H25F3N4O MolecularWeight: 394.43391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C(=C1)CCCCN2CCNCC2C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=NNC(=O)C(=C1)CCCCN2CCNCC2C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H25F3N4O/c1-14-11-16(19(28)26-25-14)5-2-3-9-27-10-8-24-13-18(27)15-6-4-7-17(12-15)20(21,22)23/h4,6-7,11-12,18,24H,2-3,5,8-10,13H2,1H3,(H,26,28)