N-[4-(3-ethoxy-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]-2-(3-pentadecylphenoxy)butanamide

Systemtic Name: N-[4-(3-ethoxy-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]-2-(3-pentadecylphenoxy)butanamide Openeye Name: N-[4-(3-ethoxy-5-oxo-4H-pyrazol-1-yl)phenyl]-2-(3-pentadecylphenoxy)butanamide CAS Name: N-[4-(3-ethoxy-5-oxo-4H-pyrazol-1-yl)phenyl]-2-(3-pentadecylphenoxy)butanamide IUPAC Name: N-[4-(3-ethoxy-5-oxo-4H-pyrazol-1-yl)phenyl]-2-(3-pentadecylphenoxy)butanamide Traditional Name: N-[4-(3-ethoxy-5-keto-2-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=C(C=C2)N3C(=O)CC(=N3)OCC

Isomeric SMILES

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

InChI

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