methyl 1,4-bis(trifluoromethyl)-3,9a-dihydropyridazino[4,5-d]azepine-7-carboxylate

Systemtic Name: methyl 1,4-bis(trifluoromethyl)-3,9a-dihydropyridazino[4,5-d]azepine-7-carboxylate Openeye Name: methyl 1,4-bis(trifluoromethyl)-3,9a-dihydropyridazino[4,5-d]azepine-7-carboxylate CAS Name: 1,4-bis(trifluoromethyl)-3,9a-dihydropyridazino[4,5-d]azepine-7-carboxylic acid methyl ester IUPAC Name: methyl 1,4-bis(trifluoromethyl)-3,9a-dihydropyridazino[4,5-d]azepine-7-carboxylate Traditional Name: 1,4-bis(trifluoromethyl)-3,9a-dihydropyridazin[4,5-d]azepine-7-carboxylic acid methyl ester Formula: C12H9F6N3O2 MolecularWeight: 341.209179

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=CC2C(=C(NN=C2C(F)(F)F)C(F)(F)F)C=C1

Isomeric SMILES

COC(=O)N1C=CC2C(=C(NN=C2C(F)(F)F)C(F)(F)F)C=C1

InChI

InChI=1S/C12H9F6N3O2/c1-23-10(22)21-4-2-6-7(3-5-21)9(12(16,17)18)20-19-8(6)11(13,14)15/h2-6,20H,1H3