5-[2-[[2-(4-methylphenyl)ethylamino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[2-[[2-(4-methylphenyl)ethylamino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-phenyl-5-[2-[[2-(p-tolyl)ethylamino]methyl]pyrrol-1-yl]pyrazole-4-carboxylic acid CAS Name: 5-[2-[[2-(4-methylphenyl)ethylamino]methyl]-1-pyrrolyl]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[2-[[2-(4-methylphenyl)ethylamino]methyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 1-phenyl-5-[2-[[2-(p-tolyl)ethylamino]methyl]pyrrol-1-yl]pyrazole-4-carboxylic acid Formula: C24H24N4O2 MolecularWeight: 400.47296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNCC2=CC=CN2C3=C(C=NN3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCNCC2=CC=CN2C3=C(C=NN3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H24N4O2/c1-18-9-11-19(12-10-18)13-14-25-16-21-8-5-15-27(21)23-22(24(29)30)17-26-28(23)20-6-3-2-4-7-20/h2-12,15,17,25H,13-14,16H2,1H3,(H,29,30)