3-[4-[(3-oxidanylcyclohexyl)amino]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[(3-oxidanylcyclohexyl)amino]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-[(3-hydroxycyclohexyl)amino]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-[(3-hydroxycyclohexyl)amino]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[(3-hydroxycyclohexyl)amino]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-[(3-hydroxycyclohexyl)amino]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C17H18F3N3O2 MolecularWeight: 353.33893

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)O)NC2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

C1CC(CC(C1)O)NC2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2/c18-17(19,20)13-8-10(14-6-7-16(25)23-22-14)4-5-15(13)21-11-2-1-3-12(24)9-11/h4-8,11-12,21,24H,1-3,9H2,(H,23,25)