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

Systemtic Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]-2,2-diphenyl-ethanone Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C29H29N5O3/c1-21-19-22(2)33(30-21)27-20-25(13-14-26(27)34(36)37)31-15-17-32(18-16-31)29(35)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19-20,28H,15-18H2,1-2H3