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

Systemtic Name: [4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone CAS Name: [4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]-1-piperazinyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]-(4-methoxyphenyl)methanone Traditional Name: (4-methoxyphenyl)-[4-[3-(neopentylamino)-4-nitro-phenyl]piperazino]methanone Formula: C23H30N4O4 MolecularWeight: 426.5087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-23(2,3)16-24-20-15-18(7-10-21(20)27(29)30)25-11-13-26(14-12-25)22(28)17-5-8-19(31-4)9-6-17/h5-10,15,24H,11-14,16H2,1-4H3