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

Systemtic Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(2-iodanylphenyl)methanone Openeye Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(2-iodophenyl)methanone CAS Name: [4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]-(2-iodophenyl)methanone IUPAC Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]-(2-iodophenyl)methanone Traditional Name: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]-(2-iodophenyl)methanone Formula: C22H22IN5O3 MolecularWeight: 531.34625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4I)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4I)[N+](=O)[O-])C

InChI

InChI=1S/C22H22IN5O3/c1-15-13-16(2)27(24-15)21-14-17(7-8-20(21)28(30)31)25-9-11-26(12-10-25)22(29)18-5-3-4-6-19(18)23/h3-8,13-14H,9-12H2,1-2H3