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

Systemtic Name: N-(2-adamantyl)-3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(2-adamantyl)-3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(2-adamantyl)-3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(2-adamantyl)-3-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(2-adamantyl)-3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC(=CC=C4)CN5C=C(C(=N5)[N+](=O)[O-])Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC(=CC=C4)CN5C=C(C(=N5)[N+](=O)[O-])Br

InChI

InChI=1S/C21H23BrN4O3/c22-18-11-25(24-20(18)26(28)29)10-12-2-1-3-15(5-12)21(27)23-19-16-6-13-4-14(8-16)9-17(19)7-13/h1-3,5,11,13-14,16-17,19H,4,6-10H2,(H,23,27)