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

Systemtic Name: [4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-methoxy-3-methyl-phenyl)methanone Openeye Name: [4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-methoxy-3-methyl-phenyl)methanone CAS Name: [4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]-1-piperazinyl]-(2-methoxy-3-methylphenyl)methanone IUPAC Name: [4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]-(2-methoxy-3-methylphenyl)methanone Traditional Name: (2-methoxy-3-methyl-phenyl)-[4-[3-(neopentylamino)-4-nitro-phenyl]piperazino]methanone Formula: C24H32N4O4 MolecularWeight: 440.53528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)(C)C

InChI

InChI=1S/C24H32N4O4/c1-17-7-6-8-19(22(17)32-5)23(29)27-13-11-26(12-14-27)18-9-10-21(28(30)31)20(15-18)25-16-24(2,3)4/h6-10,15,25H,11-14,16H2,1-5H3