5-(3,5-ditert-butyl-4-methoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine

Systemtic Name: 5-(3,5-ditert-butyl-4-methoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(3,5-ditert-butyl-4-methoxy-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-(3,5-ditert-butyl-4-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(3,5-ditert-butyl-4-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-(3,5-ditert-butyl-4-methoxy-phenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C18H26IN3O MolecularWeight: 427.32301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C2=C(C(=NN2)N)I

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C2=C(C(=NN2)N)I

InChI

InChI=1S/C18H26IN3O/c1-17(2,3)11-8-10(14-13(19)16(20)22-21-14)9-12(15(11)23-7)18(4,5)6/h8-9H,1-7H3,(H3,20,21,22)