[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone CAS Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone Traditional Name: (4-benzylpiperazino)-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone Formula: C21H21BrN4O MolecularWeight: 425.32164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4O/c22-18-8-6-17(7-9-18)19-14-20(24-23-19)21(27)26-12-10-25(11-13-26)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,23,24)