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

Systemtic Name: 5-(5-ethyl-2-phenylmethoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(2-benzyloxy-5-ethyl-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-(5-ethyl-2-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(5-ethyl-2-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-(2-benzoxy-5-ethyl-phenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C18H18IN3O MolecularWeight: 419.25949

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(C(=NN3)N)I

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(C(=NN3)N)I

InChI

InChI=1S/C18H18IN3O/c1-2-12-8-9-15(23-11-13-6-4-3-5-7-13)14(10-12)17-16(19)18(20)22-21-17/h3-10H,2,11H2,1H3,(H3,20,21,22)