[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]-(o-tolyl)methanone Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=CC(=N4)C)C

InChI

InChI=1S/C23H25N5O3/c1-16-6-4-5-7-20(16)23(29)26-12-10-25(11-13-26)19-8-9-21(28(30)31)22(15-19)27-18(3)14-17(2)24-27/h4-9,14-15H,10-13H2,1-3H3