5-(3-tert-butyl-4-phenylmethoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine

Systemtic Name: 5-(3-tert-butyl-4-phenylmethoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(4-benzyloxy-3-tert-butyl-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-(3-tert-butyl-4-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(3-tert-butyl-4-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-(4-benzoxy-3-tert-butyl-phenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C20H22IN3O MolecularWeight: 447.31265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C2=C(C(=NN2)N)I)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C2=C(C(=NN2)N)I)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22IN3O/c1-20(2,3)15-11-14(18-17(21)19(22)24-23-18)9-10-16(15)25-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H3,22,23,24)