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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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