4-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzoic acid

Systemtic Name: 4-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzoic acid Openeye Name: 4-[4-[4-(1H-pyrazol-4-yl)phenyl]-4-piperidyl]benzoic acid CAS Name: 4-[4-[4-(1H-pyrazol-4-yl)phenyl]-4-piperidinyl]benzoic acid IUPAC Name: 4-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzoic acid Traditional Name: 4-[4-[4-(1H-pyrazol-4-yl)phenyl]-4-piperidyl]benzoic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H21N3O2/c25-20(26)16-3-7-19(8-4-16)21(9-11-22-12-10-21)18-5-1-15(2-6-18)17-13-23-24-14-17/h1-8,13-14,22H,9-12H2,(H,23,24)(H,25,26)