1-(4-bromophenyl)carbonyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-[3-(1H-pyrazol-5-yl)phenyl]isonipecotamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN4O2/c23-18-6-4-16(5-7-18)22(29)27-12-9-15(10-13-27)21(28)25-19-3-1-2-17(14-19)20-8-11-24-26-20/h1-8,11,14-15H,9-10,12-13H2,(H,24,26)(H,25,28)