3-[3-(4-fluorophenyl)-5-piperidin-3-yl-1H-pyrazol-4-yl]pyrrole-2,5-dione

Systemtic Name: 3-[3-(4-fluorophenyl)-5-piperidin-3-yl-1H-pyrazol-4-yl]pyrrole-2,5-dione Openeye Name: 3-[3-(4-fluorophenyl)-5-(3-piperidyl)-1H-pyrazol-4-yl]pyrrole-2,5-dione CAS Name: 3-[3-(4-fluorophenyl)-5-(3-piperidinyl)-1H-pyrazol-4-yl]pyrrole-2,5-dione IUPAC Name: 3-[3-(4-fluorophenyl)-5-piperidin-3-yl-1H-pyrazol-4-yl]pyrrole-2,5-dione Traditional Name: 3-[3-(4-fluorophenyl)-5-(3-piperidyl)-1H-pyrazol-4-yl]-3-pyrroline-2,5-quinone Formula: C18H17FN4O2 MolecularWeight: 340.351583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=C(C(=NN2)C3=CC=C(C=C3)F)C4=CC(=O)NC4=O

Isomeric SMILES

C1CC(CNC1)C2=C(C(=NN2)C3=CC=C(C=C3)F)C4=CC(=O)NC4=O

InChI

InChI=1S/C18H17FN4O2/c19-12-5-3-10(4-6-12)16-15(13-8-14(24)21-18(13)25)17(23-22-16)11-2-1-7-20-9-11/h3-6,8,11,20H,1-2,7,9H2,(H,22,23)(H,21,24,25)