2-[(3-iodanylphenyl)methyl]-3-oxidanylidene-N-(3-piperidin-1-ylpropyl)-1H-isoindole-5-carboxamide

Systemtic Name: 2-[(3-iodanylphenyl)methyl]-3-oxidanylidene-N-(3-piperidin-1-ylpropyl)-1H-isoindole-5-carboxamide Openeye Name: 2-[(3-iodophenyl)methyl]-3-oxo-N-[3-(1-piperidyl)propyl]isoindoline-5-carboxamide CAS Name: 2-[(3-iodophenyl)methyl]-3-oxo-N-[3-(1-piperidinyl)propyl]-1H-isoindole-5-carboxamide IUPAC Name: 2-[(3-iodophenyl)methyl]-3-oxo-N-(3-piperidin-1-ylpropyl)-1H-isoindole-5-carboxamide Traditional Name: 2-(3-iodobenzyl)-3-keto-N-(3-piperidinopropyl)isoindoline-5-carboxamide Formula: C24H28IN3O2 MolecularWeight: 517.40249

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC(=CC=C4)I)C=C2

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC(=CC=C4)I)C=C2

InChI

InChI=1S/C24H28IN3O2/c25-21-7-4-6-18(14-21)16-28-17-20-9-8-19(15-22(20)24(28)30)23(29)26-10-5-13-27-11-2-1-3-12-27/h4,6-9,14-15H,1-3,5,10-13,16-17H2,(H,26,29)