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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)C3=C(C(=NN3)N)I

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)C3=C(C(=NN3)N)I

InChI

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