2-[(4-iodophenyl)methyl]-3-oxidanylidene-N-[3-(2-phenylpiperidin-1-yl)propyl]-1H-isoindole-5-carboxamide

Systemtic Name: 2-[(4-iodophenyl)methyl]-3-oxidanylidene-N-[3-(2-phenylpiperidin-1-yl)propyl]-1H-isoindole-5-carboxamide Openeye Name: 2-[(4-iodophenyl)methyl]-3-oxo-N-[3-(2-phenyl-1-piperidyl)propyl]isoindoline-5-carboxamide CAS Name: 2-[(4-iodophenyl)methyl]-3-oxo-N-[3-(2-phenyl-1-piperidinyl)propyl]-1H-isoindole-5-carboxamide IUPAC Name: 2-[(4-iodophenyl)methyl]-3-oxo-N-[3-(2-phenylpiperidin-1-yl)propyl]-1H-isoindole-5-carboxamide Traditional Name: 2-(4-iodobenzyl)-3-keto-N-[3-(2-phenylpiperidino)propyl]isoindoline-5-carboxamide Formula: C30H32IN3O2 MolecularWeight: 593.49845

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CC=CC=C2)CCCNC(=O)C3=CC4=C(CN(C4=O)CC5=CC=C(C=C5)I)C=C3

Isomeric SMILES

C1CCN(C(C1)C2=CC=CC=C2)CCCNC(=O)C3=CC4=C(CN(C4=O)CC5=CC=C(C=C5)I)C=C3

InChI

InChI=1S/C30H32IN3O2/c31-26-14-10-22(11-15-26)20-34-21-25-13-12-24(19-27(25)30(34)36)29(35)32-16-6-18-33-17-5-4-9-28(33)23-7-2-1-3-8-23/h1-3,7-8,10-15,19,28H,4-6,9,16-18,20-21H2,(H,32,35)