2-(3,4-diphenylpyrazol-3-yl)-4-methyl-pentanoic acid

Systemtic Name: 2-(3,4-diphenylpyrazol-3-yl)-4-methyl-pentanoic acid Openeye Name: 2-(3,4-diphenylpyrazol-3-yl)-4-methyl-pentanoic acid CAS Name: 2-(3,4-diphenyl-3-pyrazolyl)-4-methylpentanoic acid IUPAC Name: 2-(3,4-diphenylpyrazol-3-yl)-4-methylpentanoic acid Traditional Name: 2-(3,4-diphenylpyrazol-3-yl)-4-methyl-valeric acid Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)C1(C(=CN=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)C1(C(=CN=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-15(2)13-18(20(24)25)21(17-11-7-4-8-12-17)19(14-22-23-21)16-9-5-3-6-10-16/h3-12,14-15,18H,13H2,1-2H3,(H,24,25)