1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]-2,2-dimethyl-propan-1-one Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3/c1-14-12-15(2)24(21-14)18-13-16(6-7-17(18)25(27)28)22-8-10-23(11-9-22)19(26)20(3,4)5/h6-7,12-13H,8-11H2,1-5H3