1-[2-[(3-bromophenyl)carbonylamino]ethanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[2-[(3-bromophenyl)carbonylamino]ethanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-phenyl-nipecotamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CNC(=O)C2=CC(=CC=C2)Br)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=O)CNC(=O)C2=CC(=CC=C2)Br)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O3/c22-17-8-4-6-15(12-17)20(27)23-13-19(26)25-11-5-7-16(14-25)21(28)24-18-9-2-1-3-10-18/h1-4,6,8-10,12,16H,5,7,11,13-14H2,(H,23,27)(H,24,28)