3-[5-[4-[(3-bromophenyl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[4-[(3-bromophenyl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[4-[(3-bromophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[4-[(3-bromophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[4-[(3-bromophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[4-(3-bromobenzyl)piperazine-1-carbonyl]pyrazol-1-yl]propionic acid Formula: C18H21BrN4O3 MolecularWeight: 421.28834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C18H21BrN4O3/c19-15-3-1-2-14(12-15)13-21-8-10-22(11-9-21)18(26)16-4-6-20-23(16)7-5-17(24)25/h1-4,6,12H,5,7-11,13H2,(H,24,25)