(2-bromophenyl)-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-bromophenyl)-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (2-bromophenyl)-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (2-bromophenyl)-[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (2-bromophenyl)-[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (2-bromophenyl)-[4-[3-(neopentylamino)-4-nitro-phenyl]piperazino]methanone Formula: C22H27BrN4O3 MolecularWeight: 475.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C22H27BrN4O3/c1-22(2,3)15-24-19-14-16(8-9-20(19)27(29)30)25-10-12-26(13-11-25)21(28)17-6-4-5-7-18(17)23/h4-9,14,24H,10-13,15H2,1-3H3