1-(1-adamantyl)-N-(2-bromanyl-4-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(2-bromanyl-4-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(2-bromo-4-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2-bromo-4-methylphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(2-bromo-4-methylphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2-bromo-4-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)Br

InChI

InChI=1S/C21H23BrN4O3/c1-12-2-3-17(16(22)4-12)23-20(27)19-18(26(28)29)11-25(24-19)21-8-13-5-14(9-21)7-15(6-13)10-21/h2-4,11,13-15H,5-10H2,1H3,(H,23,27)