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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3/c21-15(2-4-19-3-1-14(18-19)20(22)23)17-16-12-6-10-5-11(8-12)9-13(16)7-10/h1,3,10-13,16H,2,4-9H2,(H,17,21)