2-[(4-iodophenyl)methyl]-3-oxidanylidene-N-(3-piperidin-1-ylpropyl)-1H-isoindole-5-carboxamide

Systemtic Name: 2-[(4-iodophenyl)methyl]-3-oxidanylidene-N-(3-piperidin-1-ylpropyl)-1H-isoindole-5-carboxamide Openeye Name: 2-[(4-iodophenyl)methyl]-3-oxo-N-[3-(1-piperidyl)propyl]isoindoline-5-carboxamide CAS Name: 2-[(4-iodophenyl)methyl]-3-oxo-N-[3-(1-piperidinyl)propyl]-1H-isoindole-5-carboxamide IUPAC Name: 2-[(4-iodophenyl)methyl]-3-oxo-N-(3-piperidin-1-ylpropyl)-1H-isoindole-5-carboxamide Traditional Name: 2-(4-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=C(C=C4)I)C=C2

Isomeric SMILES

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

InChI

InChI=1S/C24H28IN3O2/c25-21-9-5-18(6-10-21)16-28-17-20-8-7-19(15-22(20)24(28)30)23(29)26-11-4-14-27-12-2-1-3-13-27/h5-10,15H,1-4,11-14,16-17H2,(H,26,29)