(4-tert-butylphenyl)-[4-[(3-iodanylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[(3-iodanylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[(3-iodophenyl)methyl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[(3-iodophenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[(3-iodophenyl)methyl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(3-iodobenzyl)piperazino]methanone Formula: C22H27IN2O MolecularWeight: 462.36705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)I

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)I

InChI

InChI=1S/C22H27IN2O/c1-22(2,3)19-9-7-18(8-10-19)21(26)25-13-11-24(12-14-25)16-17-5-4-6-20(23)15-17/h4-10,15H,11-14,16H2,1-3H3