N-[1-(1-adamantyl)propyl]-2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[1-(1-adamantyl)propyl]-2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetamide CAS Name: N-[1-(1-adamantyl)propyl]-2-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[1-(1-adamantyl)propyl]-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide Traditional Name: N-[1-(1-adamantyl)propyl]-2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetamide Formula: C19H27ClN4O3 MolecularWeight: 394.89568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=C(C(=N4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=C(C(=N4)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C19H27ClN4O3/c1-3-15(19-7-12-4-13(8-19)6-14(5-12)9-19)21-16(25)10-23-11(2)17(20)18(22-23)24(26)27/h12-15H,3-10H2,1-2H3,(H,21,25)