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

Systemtic Name: 2-[(4-iodophenyl)methyl]-3-oxidanylidene-N-[3-(2-propan-2-ylpiperidin-1-yl)propyl]-1H-isoindole-5-carboxamide Openeye Name: 2-[(4-iodophenyl)methyl]-N-[3-(2-isopropyl-1-piperidyl)propyl]-3-oxo-isoindoline-5-carboxamide CAS Name: 2-[(4-iodophenyl)methyl]-3-oxo-N-[3-(2-propan-2-yl-1-piperidinyl)propyl]-1H-isoindole-5-carboxamide IUPAC Name: 2-[(4-iodophenyl)methyl]-3-oxo-N-[3-(2-propan-2-ylpiperidin-1-yl)propyl]-1H-isoindole-5-carboxamide Traditional Name: 2-(4-iodobenzyl)-N-[3-(2-isopropylpiperidino)propyl]-3-keto-isoindoline-5-carboxamide Formula: C27H34IN3O2 MolecularWeight: 559.48223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)I)C=C2

Isomeric SMILES

CC(C)C1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)I)C=C2

InChI

InChI=1S/C27H34IN3O2/c1-19(2)25-6-3-4-14-30(25)15-5-13-29-26(32)21-9-10-22-18-31(27(33)24(22)16-21)17-20-7-11-23(28)12-8-20/h7-12,16,19,25H,3-6,13-15,17-18H2,1-2H3,(H,29,32)