[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-bromophenyl)-5-methylpyrazol-4-yl]methanone Traditional Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-(4-piperonylpiperazino)methanone Formula: C23H23BrN4O3 MolecularWeight: 483.35772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23BrN4O3/c1-16-20(13-25-28(16)19-5-3-18(24)4-6-19)23(29)27-10-8-26(9-11-27)14-17-2-7-21-22(12-17)31-15-30-21/h2-7,12-13H,8-11,14-15H2,1H3