5-bromanyl-7-methyl-2-[(4-pyridin-3-yloxyphenyl)methyl]-3H-isoindol-1-one

Systemtic Name: 5-bromanyl-7-methyl-2-[(4-pyridin-3-yloxyphenyl)methyl]-3H-isoindol-1-one Openeye Name: 5-bromo-7-methyl-2-[[4-(3-pyridyloxy)phenyl]methyl]isoindolin-1-one CAS Name: 5-bromo-7-methyl-2-[[4-(3-pyridinyloxy)phenyl]methyl]-3H-isoindol-1-one IUPAC Name: 5-bromo-7-methyl-2-[(4-pyridin-3-yloxyphenyl)methyl]-3H-isoindol-1-one Traditional Name: 5-bromo-7-methyl-2-[4-(3-pyridyloxy)benzyl]isoindolin-1-one Formula: C21H17BrN2O2 MolecularWeight: 409.27588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)CN(C2=O)CC3=CC=C(C=C3)OC4=CN=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)CN(C2=O)CC3=CC=C(C=C3)OC4=CN=CC=C4

InChI

InChI=1S/C21H17BrN2O2/c1-14-9-17(22)10-16-13-24(21(25)20(14)16)12-15-4-6-18(7-5-15)26-19-3-2-8-23-11-19/h2-11H,12-13H2,1H3