methyl 4-[4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]butanoylamino]benzoate

Systemtic Name: methyl 4-[4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]butanoylamino]benzoate Openeye Name: methyl 4-[4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]butanoylamino]benzoate CAS Name: 4-[[4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate Traditional Name: 4-[4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]butanoylamino]benzoic acid methyl ester Formula: C22H20BrN3O4 MolecularWeight: 470.3159

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H20BrN3O4/c1-30-22(29)16-6-10-18(11-7-16)24-20(27)3-2-14-26-21(28)13-12-19(25-26)15-4-8-17(23)9-5-15/h4-13H,2-3,14H2,1H3,(H,24,27)