2-[3-[1-(4-methylphenyl)propylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[1-(4-methylphenyl)propylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-[1-(p-tolyl)propylamino]propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[1-(4-methylphenyl)propylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[1-(4-methylphenyl)propylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[1-(p-tolyl)propylamino]propyl]pyrazole-3-carboxylic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C17H21N3O3/c1-3-14(13-6-4-12(2)5-7-13)19-16(21)9-11-20-15(17(22)23)8-10-18-20/h4-8,10,14H,3,9,11H2,1-2H3,(H,19,21)(H,22,23)