3-(1-adamantyl)-N-[2,6-bis(bromanyl)-4-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[2,6-bis(bromanyl)-4-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(2,6-dibromo-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2,6-dibromo-4-nitrophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(2,6-dibromo-4-nitrophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(2,6-dibromo-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C26H24Br2N4O3 MolecularWeight: 600.30176

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=C(C=C5Br)[N+](=O)[O-])Br)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=C(C=C5Br)[N+](=O)[O-])Br)C6=CC=CC=C6

InChI

InChI=1S/C26H24Br2N4O3/c27-21-9-19(32(34)35)10-22(28)23(21)29-25(33)20-14-31(18-4-2-1-3-5-18)30-24(20)26-11-15-6-16(12-26)8-17(7-15)13-26/h1-5,9-10,14-17H,6-8,11-13H2,(H,29,33)