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

Systemtic Name: (3-bromanyl-1-adamantyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3-bromo-1-adamantyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3-bromo-1-adamantyl)-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-bromo-1-adamantyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (3-bromo-1-adamantyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]methanone Formula: C26H32BrN5O3 MolecularWeight: 542.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)(C5)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)(C5)Br)[N+](=O)[O-])C

InChI

InChI=1S/C26H32BrN5O3/c1-17-9-18(2)31(28-17)23-11-21(3-4-22(23)32(34)35)29-5-7-30(8-6-29)24(33)25-12-19-10-20(13-25)15-26(27,14-19)16-25/h3-4,9,11,19-20H,5-8,10,12-16H2,1-2H3