3-methylbutyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: 3-methylbutyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: isopentyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid isoamyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

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