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

Systemtic Name: 6-imidazol-1-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one Openeye Name: 6-imidazol-1-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one CAS Name: 6-(1-imidazolyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butyl]-3-pyridazinone IUPAC Name: 6-imidazol-1-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one Traditional Name: 6-imidazol-1-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]pyridazin-3-one Formula: C22H25F3N6O MolecularWeight: 446.46871

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C=CC(=N2)N3C=CN=C3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C=CC(=N2)N3C=CN=C3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H25F3N6O/c23-22(24,25)18-4-3-5-19(16-18)29-14-12-28(13-15-29)9-1-2-10-31-21(32)7-6-20(27-31)30-11-8-26-17-30/h3-8,11,16-17H,1-2,9-10,12-15H2