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

Systemtic Name: 5-(5-butan-2-yl-2-methoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 4-iodo-5-(2-methoxy-5-sec-butyl-phenyl)-1H-pyrazol-3-amine CAS Name: 5-(5-butan-2-yl-2-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(5-butan-2-yl-2-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [4-iodo-5-(2-methoxy-5-sec-butyl-phenyl)-1H-pyrazol-3-yl]amine Formula: C14H18IN3O MolecularWeight: 371.21669

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OC)C2=C(C(=NN2)N)I

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OC)C2=C(C(=NN2)N)I

InChI

InChI=1S/C14H18IN3O/c1-4-8(2)9-5-6-11(19-3)10(7-9)13-12(15)14(16)18-17-13/h5-8H,4H2,1-3H3,(H3,16,17,18)