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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-29-22(28)17-9-11-18(12-10-17)23-20(26)8-5-15-25-21(27)14-13-19(24-25)16-6-3-2-4-7-16/h2-4,6-7,9-14H,5,8,15H2,1H3,(H,23,26)