3-azanyl-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-8-bromanyl-4-chloranyl-octanenitrile

Systemtic Name: 3-azanyl-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-8-bromanyl-4-chloranyl-octanenitrile Openeye Name: 3-amino-8-bromo-4-chloro-2-[(1,3-dioxoisoindolin-2-yl)methyl]octanenitrile CAS Name: 3-amino-8-bromo-4-chloro-2-[(1,3-dioxo-2-isoindolyl)methyl]octanenitrile IUPAC Name: 3-amino-8-bromo-4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]octanenitrile Traditional Name: 3-amino-8-bromo-4-chloro-2-(phthalimidomethyl)caprylonitrile Formula: C17H19BrClN3O2 MolecularWeight: 412.70866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(C#N)C(C(CCCCBr)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(C#N)C(C(CCCCBr)Cl)N

InChI

InChI=1S/C17H19BrClN3O2/c18-8-4-3-7-14(19)15(21)11(9-20)10-22-16(23)12-5-1-2-6-13(12)17(22)24/h1-2,5-6,11,14-15H,3-4,7-8,10,21H2