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

Systemtic Name: 2-[(3-bromophenyl)methyl]-3-oxidanylidene-N-[3-(2-propylpiperidin-1-yl)propyl]-1H-isoindole-5-carboxamide Openeye Name: 2-[(3-bromophenyl)methyl]-3-oxo-N-[3-(2-propyl-1-piperidyl)propyl]isoindoline-5-carboxamide CAS Name: 2-[(3-bromophenyl)methyl]-3-oxo-N-[3-(2-propyl-1-piperidinyl)propyl]-1H-isoindole-5-carboxamide IUPAC Name: 2-[(3-bromophenyl)methyl]-3-oxo-N-[3-(2-propylpiperidin-1-yl)propyl]-1H-isoindole-5-carboxamide Traditional Name: 2-(3-bromobenzyl)-3-keto-N-[3-(2-propylpiperidino)propyl]isoindoline-5-carboxamide Formula: C27H34BrN3O2 MolecularWeight: 512.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC(=CC=C4)Br)C=C2

Isomeric SMILES

CCCC1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC(=CC=C4)Br)C=C2

InChI

InChI=1S/C27H34BrN3O2/c1-2-7-24-10-3-4-14-30(24)15-6-13-29-26(32)21-11-12-22-19-31(27(33)25(22)17-21)18-20-8-5-9-23(28)16-20/h5,8-9,11-12,16-17,24H,2-4,6-7,10,13-15,18-19H2,1H3,(H,29,32)