ethyl 4-(2-cyclohexylethanoylamino)-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(2-cyclohexylethanoylamino)-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(2-cyclohexylacetyl)amino]-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[(2-cyclohexyl-1-oxoethyl)amino]-1-(2-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-cyclohexylacetyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(2-cyclohexylacetyl)amino]-6-keto-1-(o-tolyl)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)CC2CCCCC2)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CC2CCCCC2)C3=CC=CC=C3C

InChI

InChI=1S/C22H27N3O4/c1-3-29-22(28)21-17(23-19(26)13-16-10-5-4-6-11-16)14-20(27)25(24-21)18-12-8-7-9-15(18)2/h7-9,12,14,16H,3-6,10-11,13H2,1-2H3,(H,23,26)