N-(4-bromophenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromophenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-(4-bromophenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-(4-bromophenyl)-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(4-bromophenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-(4-bromophenyl)-1-(2-pyrimidyl)isonipecotamide Formula: C16H17BrN4O MolecularWeight: 361.23638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)Br)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)Br)C3=NC=CC=N3

InChI

InChI=1S/C16H17BrN4O/c17-13-2-4-14(5-3-13)20-15(22)12-6-10-21(11-7-12)16-18-8-1-9-19-16/h1-5,8-9,12H,6-7,10-11H2,(H,20,22)