methyl 4-[2-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)butanoylamino]benzoate

Systemtic Name: methyl 4-[2-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)butanoylamino]benzoate Openeye Name: methyl 4-[2-(6-oxo-3-phenyl-pyridazin-1-yl)butanoylamino]benzoate CAS Name: 4-[[1-oxo-2-(6-oxo-3-phenyl-1-pyridazinyl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-oxo-3-phenylpyridazin-1-yl)butanoylamino]benzoate Traditional Name: 4-[2-(6-keto-3-phenyl-pyridazin-1-yl)butanoylamino]benzoic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-3-19(21(27)23-17-11-9-16(10-12-17)22(28)29-2)25-20(26)14-13-18(24-25)15-7-5-4-6-8-15/h4-14,19H,3H2,1-2H3,(H,23,27)