[2-[methyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[methyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[methyl-(2-morpholino-2-oxo-ethyl)amino]-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[methyl-[2-(4-morpholinyl)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[(2-keto-2-morpholino-ethyl)-methyl-amino]ethyl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N(C)CC(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N(C)CC(=O)N3CCOCC3

InChI

InChI=1S/C21H26N4O5/c1-15-20(16(2)25(22-15)17-7-5-4-6-8-17)21(28)30-14-19(27)23(3)13-18(26)24-9-11-29-12-10-24/h4-8H,9-14H2,1-3H3