[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C24H23FN4O4 MolecularWeight: 450.462223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)COC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)COC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H23FN4O4/c25-19-6-8-20(9-7-19)27-12-14-28(15-13-27)23(31)17-33-24(32)21-10-11-22(30)29(26-21)16-18-4-2-1-3-5-18/h1-11H,12-17H2