1-[[1-(3-bromophenyl)-1,2,3-triazol-4-yl]carbonyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[[1-(3-bromophenyl)-1,2,3-triazol-4-yl]carbonyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[1-(3-bromophenyl)triazole-4-carbonyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[[1-(3-bromophenyl)-4-triazolyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[1-(3-bromophenyl)triazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[1-(3-bromophenyl)triazole-4-carbonyl]-N-phenyl-nipecotamide Formula: C21H20BrN5O2 MolecularWeight: 454.3198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H20BrN5O2/c22-16-7-4-10-18(12-16)27-14-19(24-25-27)21(29)26-11-5-6-15(13-26)20(28)23-17-8-2-1-3-9-17/h1-4,7-10,12,14-15H,5-6,11,13H2,(H,23,28)