propan-2-yl 4-[2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanoylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanoylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]acetyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[2-[3-(4-bromo-3-nitro-1-pyrazolyl)-1-adamantyl]-1-oxoethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[3-(4-bromo-3-nitropyrazol-1-yl)-1-adamantyl]acetyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]acetyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C24H31BrN6O5 MolecularWeight: 563.44414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)CC23CC4CC(C2)CC(C4)(C3)N5C=C(C(=N5)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)CC23CC4CC(C2)CC(C4)(C3)N5C=C(C(=N5)[N+](=O)[O-])Br

InChI

InChI=1S/C24H31BrN6O5/c1-4-29-12-18(20(27-29)22(33)36-14(2)3)26-19(32)10-23-6-15-5-16(7-23)9-24(8-15,13-23)30-11-17(25)21(28-30)31(34)35/h11-12,14-16H,4-10,13H2,1-3H3,(H,26,32)