ethyl 1-[4-(6-oxidanylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl 1-[4-(6-oxidanylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate Openeye Name: ethyl 1-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate CAS Name: 1-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate Traditional Name: 1-[4-(6-keto-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C18H18F3N3O3 MolecularWeight: 381.34903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN1C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3/c1-2-27-17(26)15-4-3-9-24(15)14-7-5-11(10-12(14)18(19,20)21)13-6-8-16(25)23-22-13/h5-8,10,15H,2-4,9H2,1H3,(H,23,25)