[4,5-bis(bromanyl)-1H-pyrazol-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4,5-bis(bromanyl)-1H-pyrazol-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(4,5-dibromo-1H-pyrazol-3-yl)methanone CAS Name: (4,5-dibromo-1H-pyrazol-3-yl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(4,5-dibromo-1H-pyrazol-3-yl)methanone Traditional Name: (4-benzylpiperazino)-(4,5-dibromo-1H-pyrazol-3-yl)methanone Formula: C15H16Br2N4O MolecularWeight: 428.12174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NNC(=C3Br)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NNC(=C3Br)Br

InChI

InChI=1S/C15H16Br2N4O/c16-12-13(18-19-14(12)17)15(22)21-8-6-20(7-9-21)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,18,19)