3-azanyl-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-8-bromanyl-octanenitrile

Systemtic Name: 3-azanyl-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-8-bromanyl-octanenitrile Openeye Name: 3-amino-8-bromo-2-[(1,3-dioxoisoindolin-2-yl)methyl]octanenitrile CAS Name: 3-amino-8-bromo-2-[(1,3-dioxo-2-isoindolyl)methyl]octanenitrile IUPAC Name: 3-amino-8-bromo-2-[(1,3-dioxoisoindol-2-yl)methyl]octanenitrile Traditional Name: 3-amino-8-bromo-2-(phthalimidomethyl)caprylonitrile Formula: C17H20BrN3O2 MolecularWeight: 378.2636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(C#N)C(CCCCCBr)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(C#N)C(CCCCCBr)N

InChI

InChI=1S/C17H20BrN3O2/c18-9-5-1-2-8-15(20)12(10-19)11-21-16(22)13-6-3-4-7-14(13)17(21)23/h3-4,6-7,12,15H,1-2,5,8-9,11,20H2