N-[3-(5-ethoxy-3-oxidanylidene-1H-pyrazol-2-yl)phenyl]-2-(3-pentadecylphenoxy)butanamide

Systemtic Name: N-[3-(5-ethoxy-3-oxidanylidene-1H-pyrazol-2-yl)phenyl]-2-(3-pentadecylphenoxy)butanamide Openeye Name: N-[3-(5-ethoxy-3-oxo-1H-pyrazol-2-yl)phenyl]-2-(3-pentadecylphenoxy)butanamide CAS Name: N-[3-(5-ethoxy-3-oxo-1H-pyrazol-2-yl)phenyl]-2-(3-pentadecylphenoxy)butanamide IUPAC Name: N-[3-(5-ethoxy-3-oxo-1H-pyrazol-2-yl)phenyl]-2-(3-pentadecylphenoxy)butanamide Traditional Name: N-[3-(3-ethoxy-5-keto-3-pyrazolin-1-yl)phenyl]-2-(3-pentadecylphenoxy)butyramide Formula: C36H53N3O4 MolecularWeight: 591.82372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC=CC(=C2)N3C(=O)C=C(N3)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC=CC(=C2)N3C(=O)C=C(N3)OCC

InChI

InChI=1S/C36H53N3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-29-22-19-25-32(26-29)43-33(5-2)36(41)37-30-23-20-24-31(27-30)39-35(40)28-34(38-39)42-6-3/h19-20,22-28,33,38H,4-18,21H2,1-3H3,(H,37,41)