5-(5-butan-2-yl-2-phenylmethoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine

Systemtic Name: 5-(5-butan-2-yl-2-phenylmethoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(2-benzyloxy-5-sec-butyl-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-(5-butan-2-yl-2-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(5-butan-2-yl-2-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-(2-benzoxy-5-sec-butyl-phenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C20H22IN3O MolecularWeight: 447.31265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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