[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NCCCC2=CC=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NCCCC2=CC=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-16-20(21(23)26(25-16)18-12-6-3-7-13-18)22(28)29-15-19(27)24-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13H,8,11,14-15H2,1H3,(H,24,27)