2-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-[4-(p-tolylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[4-(4-methylbenzyl)piperazino]propyl]pyrazole-3-carboxylic acid Formula: C19H24N4O3 MolecularWeight: 356.41886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C19H24N4O3/c1-15-2-4-16(5-3-15)14-21-10-12-22(13-11-21)18(24)7-9-23-17(19(25)26)6-8-20-23/h2-6,8H,7,9-14H2,1H3,(H,25,26)