(4-tert-butylphenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]methanone Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C26H31N5O3/c1-18-16-19(2)30(27-18)24-17-22(10-11-23(24)31(33)34)28-12-14-29(15-13-28)25(32)20-6-8-21(9-7-20)26(3,4)5/h6-11,16-17H,12-15H2,1-5H3