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

Systemtic Name: ethyl 4-(3-cyclohexylpropanoylamino)-6-oxidanylidene-1-phenyl-pyridazine-3-carboxylate Openeye Name: ethyl 4-(3-cyclohexylpropanoylamino)-6-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 4-[(3-cyclohexyl-1-oxopropyl)amino]-6-oxo-1-phenyl-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-cyclohexylpropanoylamino)-6-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 4-(3-cyclohexylpropanoylamino)-6-keto-1-phenyl-pyridazine-3-carboxylic acid ethyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CCC2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CCC2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-2-29-22(28)21-18(23-19(26)14-13-16-9-5-3-6-10-16)15-20(27)25(24-21)17-11-7-4-8-12-17/h4,7-8,11-12,15-16H,2-3,5-6,9-10,13-14H2,1H3,(H,23,26)