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

Systemtic Name: 4-iodanyl-5-(2-phenylmethoxy-5-propyl-phenyl)-1H-pyrazol-3-amine Openeye Name: 5-(2-benzyloxy-5-propyl-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 4-iodo-5-(2-phenylmethoxy-5-propylphenyl)-1H-pyrazol-3-amine IUPAC Name: 4-iodo-5-(2-phenylmethoxy-5-propylphenyl)-1H-pyrazol-3-amine Traditional Name: [5-(2-benzoxy-5-propyl-phenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C19H20IN3O MolecularWeight: 433.28607

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(C(=NN3)N)I

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(C(=NN3)N)I

InChI

InChI=1S/C19H20IN3O/c1-2-6-13-9-10-16(24-12-14-7-4-3-5-8-14)15(11-13)18-17(20)19(21)23-22-18/h3-5,7-11H,2,6,12H2,1H3,(H3,21,22,23)