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

Systemtic Name: [2-[[4-(morpholin-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[4-(morpholinomethyl)anilino]-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-(4-morpholinylmethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[4-(morpholinomethyl)anilino]ethyl] ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC=C(C=C3)CN4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC=C(C=C3)CN4CCOCC4

InChI

InChI=1S/C25H28N4O4/c1-18-24(19(2)29(27-18)22-6-4-3-5-7-22)25(31)33-17-23(30)26-21-10-8-20(9-11-21)16-28-12-14-32-15-13-28/h3-11H,12-17H2,1-2H3,(H,26,30)