N-[1-(1-adamantyl)propyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[1-(1-adamantyl)propyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[1-(1-adamantyl)propyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-(1-adamantyl)propyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[1-(1-adamantyl)propyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC)C12CC3CC(C1)CC(C3)C2)N4C(=CC(=N4)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC(CC)C12CC3CC(C1)CC(C3)C2)N4C(=CC(=N4)[N+](=O)[O-])C

InChI

InChI=1S/C21H32N4O3/c1-4-17(24-13(3)6-19(23-24)25(27)28)20(26)22-18(5-2)21-10-14-7-15(11-21)9-16(8-14)12-21/h6,14-18H,4-5,7-12H2,1-3H3,(H,22,26)