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

Systemtic Name: N-(1-adamantylmethyl)-3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(1-adamantylmethyl)-3-(4-bromo-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-(1-adamantylmethyl)-3-(4-bromo-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(1-adamantylmethyl)-3-(4-bromo-3-nitropyrazol-1-yl)propanamide Traditional Name: N-(1-adamantylmethyl)-3-(4-bromo-3-nitro-pyrazol-1-yl)propionamide Formula: C17H23BrN4O3 MolecularWeight: 411.29352

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CCN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CCN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C17H23BrN4O3/c18-14-9-21(20-16(14)22(24)25)2-1-15(23)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h9,11-13H,1-8,10H2,(H,19,23)