(4-tert-butylphenyl)-[4-[3-(2-methylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[3-(2-methylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[3-(isobutylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[3-(2-methylpropylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[3-(2-methylpropylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[3-(isobutylamino)-4-nitro-phenyl]piperazino]methanone Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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