(5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (5-tert-butyl-2-methyl-3-pyrazolyl)-[4-[2-(2,5-dimethyl-1-pyrrolyl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (5-tert-butyl-2-methylpyrazol-3-yl)-[4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]piperazino]methanone Formula: C25H32N6O3 MolecularWeight: 464.55998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC(=NN4C)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC(=NN4C)C(C)(C)C)C

InChI

InChI=1S/C25H32N6O3/c1-17-7-8-18(2)30(17)21-15-19(31(33)34)9-10-20(21)28-11-13-29(14-12-28)24(32)22-16-23(25(3,4)5)26-27(22)6/h7-10,15-16H,11-14H2,1-6H3