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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C(=NN2)N)I)C)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C(=NN2)N)I)C)OCC3=CC=CC=C3

InChI

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