4-[2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanoylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide

Systemtic Name: 4-[2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanoylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Openeye Name: 4-[[2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]acetyl]amino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide CAS Name: 4-[[2-[3-(4-bromo-3-nitro-1-pyrazolyl)-1-adamantyl]-1-oxoethyl]amino]-1-ethyl-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-[[2-[3-(4-bromo-3-nitropyrazol-1-yl)-1-adamantyl]acetyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide Traditional Name: 4-[[2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]acetyl]amino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Formula: C27H30BrN7O4 MolecularWeight: 596.4756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C(=N6)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C(=N6)[N+](=O)[O-])Br

InChI

InChI=1S/C27H30BrN7O4/c1-2-33-15-21(23(31-33)25(37)29-19-6-4-3-5-7-19)30-22(36)13-26-9-17-8-18(10-26)12-27(11-17,16-26)34-14-20(28)24(32-34)35(38)39/h3-7,14-15,17-18H,2,8-13,16H2,1H3,(H,29,37)(H,30,36)