2-[4-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-bromo-2-methoxyphenyl)methyl-methylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-bromo-2-methoxyphenyl)methyl-methylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-bromo-2-methoxy-benzyl)-methyl-amino]butyl]isoindoline-1,3-quinone Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H23BrN2O3/c1-23(14-15-13-16(22)9-10-19(15)27-2)11-5-6-12-24-20(25)17-7-3-4-8-18(17)21(24)26/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3