3-[4-[2-(aziridin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[2-(aziridin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-[2-(aziridin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-[2-(1-aziridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[2-(aziridin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(2-ethyleniminoethoxy)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C15H14F3N3O2 MolecularWeight: 325.28577

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CCOC2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

C1CN1CCOC2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O2/c16-15(17,18)11-9-10(12-2-4-14(22)20-19-12)1-3-13(11)23-8-7-21-5-6-21/h1-4,9H,5-8H2,(H,20,22)