(5-iodanylpyridin-3-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (5-iodanylpyridin-3-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(5-iodanyl-3-pyridyl)methanone CAS Name: (5-iodanyl-3-pyridinyl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(5-iodanylpyridin-3-yl)methanone Traditional Name: (4-benzylpiperazino)-(5-iodanyl-3-pyridyl)methanone Formula: C17H18IN3O MolecularWeight: 403.249918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CN=C3)I

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CN=C3)[123I]

InChI

InChI=1S/C17H18IN3O/c18-16-10-15(11-19-12-16)17(22)21-8-6-20(7-9-21)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2/i18-4