4-[(4-tert-butylphenyl)methyl]-N-(3-iodanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[(4-tert-butylphenyl)methyl]-N-(3-iodanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[(4-tert-butylphenyl)methyl]-N-(3-iodophenyl)piperazine-1-carboxamide CAS Name: 4-[(4-tert-butylphenyl)methyl]-N-(3-iodophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[(4-tert-butylphenyl)methyl]-N-(3-iodophenyl)piperazine-1-carboxamide Traditional Name: 4-(4-tert-butylbenzyl)-N-(3-iodophenyl)piperazine-1-carboxamide Formula: C22H28IN3O MolecularWeight: 477.38169

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C22H28IN3O/c1-22(2,3)18-9-7-17(8-10-18)16-25-11-13-26(14-12-25)21(27)24-20-6-4-5-19(23)15-20/h4-10,15H,11-14,16H2,1-3H3,(H,24,27)