2-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-butan-2-yl-3-oxidanylidene-1H-isoindole-1-carboxamide

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-butan-2-yl-3-oxidanylidene-1H-isoindole-1-carboxamide Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methyl]-3-oxo-N-sec-butyl-isoindoline-1-carboxamide CAS Name: 2-[(5-bromo-2-methoxyphenyl)methyl]-N-butan-2-yl-3-oxo-1H-isoindole-1-carboxamide IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methyl]-N-butan-2-yl-3-oxo-1H-isoindole-1-carboxamide Traditional Name: 2-(5-bromo-2-methoxy-benzyl)-3-keto-N-sec-butyl-isoindoline-1-carboxamide Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCC(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H23BrN2O3/c1-4-13(2)23-20(25)19-16-7-5-6-8-17(16)21(26)24(19)12-14-11-15(22)9-10-18(14)27-3/h5-11,13,19H,4,12H2,1-3H3,(H,23,25)