N-(2-adamantyl)-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(2-adamantyl)-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-(2-adamantyl)-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-(2-adamantyl)-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2-adamantyl)-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(2-adamantyl)-3-(4-nitropyrazol-1-yl)propionamide Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3/c21-15(1-2-19-9-14(8-17-19)20(22)23)18-16-12-4-10-3-11(6-12)7-13(16)5-10/h8-13,16H,1-7H2,(H,18,21)