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

Systemtic Name: methyl 4-[4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanoylamino]benzoate Openeye Name: methyl 4-[4-[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]butanoylamino]benzoate CAS Name: 4-[[4-[3-(3,4-dimethoxyphenyl)-6-oxo-1-pyridazinyl]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate Traditional Name: 4-[4-[3-(3,4-dimethoxyphenyl)-6-keto-pyridazin-1-yl]butanoylamino]benzoic acid methyl ester Formula: C24H25N3O6 MolecularWeight: 451.4718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C24H25N3O6/c1-31-20-12-8-17(15-21(20)32-2)19-11-13-23(29)27(26-19)14-4-5-22(28)25-18-9-6-16(7-10-18)24(30)33-3/h6-13,15H,4-5,14H2,1-3H3,(H,25,28)