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

Systemtic Name: [4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Openeye Name: [4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-isopropylphenyl)methanone CAS Name: [4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]-1-piperazinyl]-(4-propan-2-ylphenyl)methanone IUPAC Name: [4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Traditional Name: [4-[3-(neopentylamino)-4-nitro-phenyl]piperazino]-p-cumenyl-methanone Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O3/c1-18(2)19-6-8-20(9-7-19)24(30)28-14-12-27(13-15-28)21-10-11-23(29(31)32)22(16-21)26-17-25(3,4)5/h6-11,16,18,26H,12-15,17H2,1-5H3