5-(3,5-ditert-butyl-2-ethoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C2=C(C(=NN2)N)I)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C2=C(C(=NN2)N)I)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C19H28IN3O/c1-8-24-16-12(15-14(20)17(21)23-22-15)9-11(18(2,3)4)10-13(16)19(5,6)7/h9-10H,8H2,1-7H3,(H3,21,22,23)