[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H26FN3O4 MolecularWeight: 439.479343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C24H26FN3O4/c1-4-5-12-28-23(30)11-10-21(26-28)24(31)32-15-22(29)20-13-16(2)27(17(20)3)14-18-6-8-19(25)9-7-18/h6-11,13H,4-5,12,14-15H2,1-3H3