1-(1-adamantyl)-N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide Formula: C22H29BrN6O3 MolecularWeight: 505.40806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C)Br

InChI

InChI=1S/C22H29BrN6O3/c1-13-19(23)14(2)27(25-13)5-3-4-24-21(30)20-18(29(31)32)12-28(26-20)22-9-15-6-16(10-22)8-17(7-15)11-22/h12,15-17H,3-11H2,1-2H3,(H,24,30)