2-(3-bromanylpropanoyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-(3-bromanylpropanoyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(3-bromopropanoyl)-1H-isoquinoline-1-carbonitrile CAS Name: 2-(3-bromo-1-oxopropyl)-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(3-bromopropanoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: 2-(3-bromopropanoyl)-1H-isoquinoline-1-carbonitrile Formula: C13H11BrN2O MolecularWeight: 291.14324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)C(=O)CCBr)C#N

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)C(=O)CCBr)C#N

InChI

InChI=1S/C13H11BrN2O/c14-7-5-13(17)16-8-6-10-3-1-2-4-11(10)12(16)9-15/h1-4,6,8,12H,5,7H2