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

Systemtic Name: 1-(1-adamantyl)-N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[(4-bromo-2-ethyl-3-pyrazolyl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[(4-bromo-2-ethylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-4-nitro-pyrazole-3-carboxamide Formula: C20H25BrN6O3 MolecularWeight: 477.3549

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)CNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=C(C=N1)Br)CNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H25BrN6O3/c1-2-25-16(15(21)9-23-25)10-22-19(28)18-17(27(29)30)11-26(24-18)20-6-12-3-13(7-20)5-14(4-12)8-20/h9,11-14H,2-8,10H2,1H3,(H,22,28)