1-(4-bromophenyl)carbonyl-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[2-(1-pyrrolidinyl)butyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-(2-pyrrolidinobutyl)isonipecotamide Formula: C21H30BrN3O2 MolecularWeight: 436.3858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br)N3CCCC3

Isomeric SMILES

CCC(CNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br)N3CCCC3

InChI

InChI=1S/C21H30BrN3O2/c1-2-19(24-11-3-4-12-24)15-23-20(26)16-9-13-25(14-10-16)21(27)17-5-7-18(22)8-6-17/h5-8,16,19H,2-4,9-15H2,1H3,(H,23,26)