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

Systemtic Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]-phenyl-methanone Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3/c1-16-14-17(2)26(23-16)21-15-19(8-9-20(21)27(29)30)24-10-12-25(13-11-24)22(28)18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3