prop-2-ynyl 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[3-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-5-yl]piperidine-1-carboxylic acid propargyl ester Formula: C23H21FN4O2 MolecularWeight: 404.436843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C23H21FN4O2/c1-2-15-30-23(29)28-13-9-18(10-14-28)22-20(16-7-11-25-12-8-16)21(26-27-22)17-3-5-19(24)6-4-17/h1,3-8,11-12,18H,9-10,13-15H2,(H,26,27)