ethyl 4-(3-methylbutanoylamino)-6-oxidanylidene-1-phenyl-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(3-methylbutanoylamino)-6-oxidanylidene-1-phenyl-pyridazine-3-carboxylate Openeye Name: ethyl 4-(3-methylbutanoylamino)-6-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 4-[(3-methyl-1-oxobutyl)amino]-6-oxo-1-phenyl-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methylbutanoylamino)-6-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 4-(isovalerylamino)-6-keto-1-phenyl-pyridazine-3-carboxylic acid ethyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4/c1-4-25-18(24)17-14(19-15(22)10-12(2)3)11-16(23)21(20-17)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,19,22)