6-[4-(2-cyanophenyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[4-(2-cyanophenyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[4-(2-cyanophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-(2-cyanophenyl)-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[4-(2-cyanophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[4-(2-cyanophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C19H21N3O3 MolecularWeight: 339.38834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C19H21N3O3/c20-13-14-5-1-4-8-17(14)21-9-11-22(12-10-21)18(23)15-6-2-3-7-16(15)19(24)25/h1-5,8,15-16H,6-7,9-12H2,(H,24,25)