2-(5-methyl-3-nitro-pyrazol-1-yl)-N-octadecyl-butanamide

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-octadecyl-butanamide Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-octadecyl-butanamide CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-N-octadecylbutanamide IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-N-octadecylbutanamide Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-stearyl-butyramide Formula: C26H48N4O3 MolecularWeight: 464.68432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(CC)N1C(=CC(=N1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(CC)N1C(=CC(=N1)[N+](=O)[O-])C

InChI

InChI=1S/C26H48N4O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-26(31)24(5-2)29-23(3)22-25(28-29)30(32)33/h22,24H,4-21H2,1-3H3,(H,27,31)