(2-oxidanylidene-2-phenylazanyl-ethyl) 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-15-20(16(2)24(23-15)13-17-9-5-3-6-10-17)21(26)27-14-19(25)22-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,22,25)