2-methyl-2-(3-methyl-4,5-diphenyl-pyrazol-1-yl)butanoate

Systemtic Name: 2-methyl-2-(3-methyl-4,5-diphenyl-pyrazol-1-yl)butanoate Openeye Name: 2-methyl-2-(3-methyl-4,5-diphenyl-pyrazol-1-yl)butanoate CAS Name: 2-methyl-2-(3-methyl-4,5-diphenyl-1-pyrazolyl)butanoate IUPAC Name: 2-methyl-2-(3-methyl-4,5-diphenylpyrazol-1-yl)butanoate Traditional Name: 2-methyl-2-(3-methyl-4,5-diphenyl-pyrazol-1-yl)butyrate Formula: C21H21N2O2- MolecularWeight: 333.40364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)[O-])N1C(=C(C(=N1)C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C(=O)[O-])N1C(=C(C(=N1)C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-4-21(3,20(24)25)23-19(17-13-9-6-10-14-17)18(15(2)22-23)16-11-7-5-8-12-16/h5-14H,4H2,1-3H3,(H,24,25)/p-1