4-[2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanoylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide

Systemtic Name: 4-[2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanoylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Openeye Name: 4-[[2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]acetyl]amino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide CAS Name: 4-[[2-[3-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-adamantyl]-1-oxoethyl]amino]-1-ethyl-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-[[2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]acetyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide Traditional Name: 4-[[2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]acetyl]amino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Formula: C28H32ClN7O4 MolecularWeight: 566.05118

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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-])Cl)C

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-])Cl)C

InChI

InChI=1S/C28H32ClN7O4/c1-3-34-15-21(24(32-34)26(38)30-20-7-5-4-6-8-20)31-22(37)14-27-10-18-9-19(11-27)13-28(12-18,16-27)35-17(2)23(29)25(33-35)36(39)40/h4-8,15,18-19H,3,9-14,16H2,1-2H3,(H,30,38)(H,31,37)