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

Systemtic Name: (4-tert-butylphenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[3-(methylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazino]methanone Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-22(2,3)17-7-5-16(6-8-17)21(27)25-13-11-24(12-14-25)18-9-10-20(26(28)29)19(15-18)23-4/h5-10,15,23H,11-14H2,1-4H3