[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate Traditional Name: 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OC(C)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OC(C)C(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N5O4/c1-4-29-19-11-10-18(24-25-19)26-14(2)17(13-23-26)21(28)30-15(3)20(27)22-12-16-8-6-5-7-9-16/h5-11,13,15H,4,12H2,1-3H3,(H,22,27)