3-(diphenethylamino)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(diphenethylamino)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(diphenethylamino)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(diphenethylamino)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(diphenethylamino)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(diphenethylamino)-1H-pyrazole-5-carboxylic acid Formula: C20H21N3O2 MolecularWeight: 335.39964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)C3=NNC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)C3=NNC(=C3)C(=O)O

InChI

InChI=1S/C20H21N3O2/c24-20(25)18-15-19(22-21-18)23(13-11-16-7-3-1-4-8-16)14-12-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,22)(H,24,25)