5-(5-tert-butyl-2-phenylmethoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine

Systemtic Name: 5-(5-tert-butyl-2-phenylmethoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(2-benzyloxy-5-tert-butyl-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-(5-tert-butyl-2-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(5-tert-butyl-2-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-(2-benzoxy-5-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=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(C(=NN3)N)I

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(C(=NN3)N)I

InChI

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