5-(2-ethoxy-5-octyl-phenyl)-4-iodanyl-1H-pyrazol-3-amine

Systemtic Name: 5-(2-ethoxy-5-octyl-phenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(2-ethoxy-5-octyl-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-(2-ethoxy-5-octylphenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(2-ethoxy-5-octylphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-(2-ethoxy-5-octyl-phenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C19H28IN3O MolecularWeight: 441.34959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OCC)C2=C(C(=NN2)N)I

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OCC)C2=C(C(=NN2)N)I

InChI

InChI=1S/C19H28IN3O/c1-3-5-6-7-8-9-10-14-11-12-16(24-4-2)15(13-14)18-17(20)19(21)23-22-18/h11-13H,3-10H2,1-2H3,(H3,21,22,23)