3-iodanyl-1-(4-phenylpiperazin-1-yl)prop-2-yn-1-one

Systemtic Name: 3-iodanyl-1-(4-phenylpiperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-iodo-1-(4-phenylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-iodo-1-(4-phenyl-1-piperazinyl)-2-propyn-1-one IUPAC Name: 3-iodo-1-(4-phenylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-iodo-1-(4-phenylpiperazino)prop-2-yn-1-one Formula: C13H13IN2O MolecularWeight: 340.15959

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C#CI

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C#CI

InChI

InChI=1S/C13H13IN2O/c14-7-6-13(17)16-10-8-15(9-11-16)12-4-2-1-3-5-12/h1-5H,8-11H2