(4-bromophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-bromophenyl)-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-bromophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]methanone Formula: C22H22BrN5O3 MolecularWeight: 484.34578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-])C

InChI

InChI=1S/C22H22BrN5O3/c1-15-13-16(2)27(24-15)21-14-19(7-8-20(21)28(30)31)25-9-11-26(12-10-25)22(29)17-3-5-18(23)6-4-17/h3-8,13-14H,9-12H2,1-2H3