[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC(=O)CCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC(=O)CCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-16-14-19(24(23-16)18-10-6-3-7-11-18)22-20(25)15-27-21(26)13-12-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3,(H,22,25)