dimethyl 2-[[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]methylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]methylamino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]methylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]methylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H22FN3O5 MolecularWeight: 439.436283

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H22FN3O5/c1-4-5-19-18(21(28)27(26-19)16-9-7-15(24)8-10-16)13-25-20-12-14(22(29)31-2)6-11-17(20)23(30)32-3/h6-13,25H,4-5H2,1-3H3