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

Systemtic Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]-2-methyl-propan-1-one Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3/c1-13(2)19(25)22-9-7-21(8-10-22)16-5-6-17(24(26)27)18(12-16)23-15(4)11-14(3)20-23/h5-6,11-13H,7-10H2,1-4H3