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

Systemtic Name: 2-[(4-bromophenyl)methyl]-N-[3-(2-butylpiperidin-1-yl)propyl]-3-oxidanylidene-1H-isoindole-5-carboxamide Openeye Name: 2-[(4-bromophenyl)methyl]-N-[3-(2-butyl-1-piperidyl)propyl]-3-oxo-isoindoline-5-carboxamide CAS Name: 2-[(4-bromophenyl)methyl]-N-[3-(2-butyl-1-piperidinyl)propyl]-3-oxo-1H-isoindole-5-carboxamide IUPAC Name: 2-[(4-bromophenyl)methyl]-N-[3-(2-butylpiperidin-1-yl)propyl]-3-oxo-1H-isoindole-5-carboxamide Traditional Name: 2-(4-bromobenzyl)-N-[3-(2-butylpiperidino)propyl]-3-keto-isoindoline-5-carboxamide Formula: C28H36BrN3O2 MolecularWeight: 526.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)Br)C=C2

Isomeric SMILES

CCCCC1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)Br)C=C2

InChI

InChI=1S/C28H36BrN3O2/c1-2-3-7-25-8-4-5-16-31(25)17-6-15-30-27(33)22-11-12-23-20-32(28(34)26(23)18-22)19-21-9-13-24(29)14-10-21/h9-14,18,25H,2-8,15-17,19-20H2,1H3,(H,30,33)