methyl 2-[[4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-[1-(4-fluorophenyl)-6-oxo-pyridazin-3-yl]piperazine-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-[1-(4-fluorophenyl)-6-oxo-3-pyridazinyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[1-(4-fluorophenyl)-6-keto-pyridazin-3-yl]piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C23H22FN5O4 MolecularWeight: 451.450283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN5O4/c1-33-22(31)18-4-2-3-5-19(18)25-23(32)28-14-12-27(13-15-28)20-10-11-21(30)29(26-20)17-8-6-16(24)7-9-17/h2-11H,12-15H2,1H3,(H,25,32)