N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-tert-butylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-tert-butylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(4-tert-butylbenzoyl)piperidine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-[(4-tert-butylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(4-tert-butylbenzoyl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-(4-tert-butylbenzoyl)isonipecotamide Formula: C23H26BrFN2O2 MolecularWeight: 461.367143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C23H26BrFN2O2/c1-23(2,3)17-6-4-16(5-7-17)22(29)27-12-10-15(11-13-27)21(28)26-20-9-8-18(24)14-19(20)25/h4-9,14-15H,10-13H2,1-3H3,(H,26,28)