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

Systemtic Name: methyl 4-[4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butanoylamino]benzoate Openeye Name: methyl 4-[4-[6-oxo-3-(p-tolyl)pyridazin-1-yl]butanoylamino]benzoate CAS Name: 4-[[4-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate Traditional Name: 4-[4-[6-keto-3-(p-tolyl)pyridazin-1-yl]butanoylamino]benzoic acid methyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H23N3O4/c1-16-5-7-17(8-6-16)20-13-14-22(28)26(25-20)15-3-4-21(27)24-19-11-9-18(10-12-19)23(29)30-2/h5-14H,3-4,15H2,1-2H3,(H,24,27)