ethyl 2-[6-(4-fluorophenyl)-4-methyl-cyclohex-3-en-1-yl]carbonyl-3-oxidanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-[6-(4-fluorophenyl)-4-methyl-cyclohex-3-en-1-yl]carbonyl-3-oxidanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[6-(4-fluorophenyl)-4-methyl-cyclohex-3-ene-1-carbonyl]-3-oxo-1H-pyrazole-4-carboxylate CAS Name: 2-[[6-(4-fluorophenyl)-4-methyl-1-cyclohex-3-enyl]-oxomethyl]-3-oxo-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-fluorophenyl)-4-methylcyclohex-3-ene-1-carbonyl]-3-oxo-1H-pyrazole-4-carboxylate Traditional Name: 1-[6-(4-fluorophenyl)-4-methyl-cyclohex-3-ene-1-carbonyl]-5-keto-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN(C1=O)C(=O)C2CC=C(CC2C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=CNN(C1=O)C(=O)C2CC=C(CC2C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H21FN2O4/c1-3-27-20(26)17-11-22-23(19(17)25)18(24)15-9-4-12(2)10-16(15)13-5-7-14(21)8-6-13/h4-8,11,15-16,22H,3,9-10H2,1-2H3