N-(2-adamantyl)-3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(2-adamantyl)-3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(2-adamantyl)-3-(4-bromo-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-(2-adamantyl)-3-(4-bromo-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2-adamantyl)-3-(4-bromo-3-nitropyrazol-1-yl)propanamide Traditional Name: N-(2-adamantyl)-3-(4-bromo-3-nitro-pyrazol-1-yl)propionamide Formula: C16H21BrN4O3 MolecularWeight: 397.26694

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CCN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CCN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C16H21BrN4O3/c17-13-8-20(19-16(13)21(23)24)2-1-14(22)18-15-11-4-9-3-10(6-11)7-12(15)5-9/h8-12,15H,1-7H2,(H,18,22)