4-chloranyl-5-(3-oxidanylidenepiperazin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-5-(3-oxidanylidenepiperazin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one Openeye Name: 4-chloro-5-(3-oxopiperazin-1-yl)-2-[5-(trifluoromethyl)-2-pyridyl]pyridazin-3-one CAS Name: 4-chloro-5-(3-oxo-1-piperazinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-3-pyridazinone IUPAC Name: 4-chloro-5-(3-oxopiperazin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one Traditional Name: 4-chloro-5-(3-ketopiperazino)-2-[5-(trifluoromethyl)-2-pyridyl]pyridazin-3-one Formula: C14H11ClF3N5O2 MolecularWeight: 373.71765

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C(=O)N(N=C2)C3=NC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C(=O)N(N=C2)C3=NC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C14H11ClF3N5O2/c15-12-9(22-4-3-19-11(24)7-22)6-21-23(13(12)25)10-2-1-8(5-20-10)14(16,17)18/h1-2,5-6H,3-4,7H2,(H,19,24)