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

Systemtic Name: [4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-[3-(neopentylamino)-4-nitro-phenyl]piperazino]-(o-tolyl)methanone Formula: C23H30N4O3 MolecularWeight: 410.5093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)(C)C

InChI

InChI=1S/C23H30N4O3/c1-17-7-5-6-8-19(17)22(28)26-13-11-25(12-14-26)18-9-10-21(27(29)30)20(15-18)24-16-23(2,3)4/h5-10,15,24H,11-14,16H2,1-4H3