1-[(3-hydroxyphenyl)methyl]-4-[3-(3-iodanylphenyl)-3-pyridin-2-yl-butyl]piperazin-2-one

Systemtic Name: 1-[(3-hydroxyphenyl)methyl]-4-[3-(3-iodanylphenyl)-3-pyridin-2-yl-butyl]piperazin-2-one Openeye Name: 1-[(3-hydroxyphenyl)methyl]-4-[3-(3-iodophenyl)-3-(2-pyridyl)butyl]piperazin-2-one CAS Name: 1-[(3-hydroxyphenyl)methyl]-4-[3-(3-iodophenyl)-3-(2-pyridinyl)butyl]-2-piperazinone IUPAC Name: 1-[(3-hydroxyphenyl)methyl]-4-[3-(3-iodophenyl)-3-pyridin-2-ylbutyl]piperazin-2-one Traditional Name: 1-(3-hydroxybenzyl)-4-[3-(3-iodophenyl)-3-(2-pyridyl)butyl]piperazin-2-one Formula: C26H28IN3O2 MolecularWeight: 541.42389

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCN(C(=O)C1)CC2=CC(=CC=C2)O)(C3=CC(=CC=C3)I)C4=CC=CC=N4

Isomeric SMILES

CC(CCN1CCN(C(=O)C1)CC2=CC(=CC=C2)O)(C3=CC(=CC=C3)I)C4=CC=CC=N4

InChI

InChI=1S/C26H28IN3O2/c1-26(24-10-2-3-12-28-24,21-7-5-8-22(27)17-21)11-13-29-14-15-30(25(32)19-29)18-20-6-4-9-23(31)16-20/h2-10,12,16-17,31H,11,13-15,18-19H2,1H3