1-[2-(5-bromanyl-2-fluoranyl-phenyl)-4-(3-morpholin-2-ylpropyl)-4-phenyl-3H-pyrazol-5-yl]ethanone

Systemtic Name: 1-[2-(5-bromanyl-2-fluoranyl-phenyl)-4-(3-morpholin-2-ylpropyl)-4-phenyl-3H-pyrazol-5-yl]ethanone Openeye Name: 1-[2-(5-bromo-2-fluoro-phenyl)-4-(3-morpholin-2-ylpropyl)-4-phenyl-3H-pyrazol-5-yl]ethanone CAS Name: 1-[2-(5-bromo-2-fluorophenyl)-4-[3-(2-morpholinyl)propyl]-4-phenyl-3H-pyrazol-5-yl]ethanone IUPAC Name: 1-[2-(5-bromo-2-fluorophenyl)-4-(3-morpholin-2-ylpropyl)-4-phenyl-3H-pyrazol-5-yl]ethanone Traditional Name: 1-[1-(5-bromo-2-fluoro-phenyl)-4-(3-morpholin-2-ylpropyl)-4-phenyl-2-pyrazolin-3-yl]ethanone Formula: C24H27BrFN3O2 MolecularWeight: 488.392483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(CC1(CCCC2CNCCO2)C3=CC=CC=C3)C4=C(C=CC(=C4)Br)F

Isomeric SMILES

CC(=O)C1=NN(CC1(CCCC2CNCCO2)C3=CC=CC=C3)C4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C24H27BrFN3O2/c1-17(30)23-24(18-6-3-2-4-7-18,11-5-8-20-15-27-12-13-31-20)16-29(28-23)22-14-19(25)9-10-21(22)26/h2-4,6-7,9-10,14,20,27H,5,8,11-13,15-16H2,1H3