1-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 2,2-dimethyl-1-[4-[3-(neopentylamino)-4-nitro-phenyl]piperazino]propan-1-one Formula: C20H32N4O3 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O3/c1-19(2,3)14-21-16-13-15(7-8-17(16)24(26)27)22-9-11-23(12-10-22)18(25)20(4,5)6/h7-8,13,21H,9-12,14H2,1-6H3