[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4/c1-15-7-9-17(10-8-15)21-23-19(25-30-21)14-29-22(28)18-11-12-20(27)26(24-18)13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3