4-bromanyl-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: 4-bromanyl-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-4-bromo-1H-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-4-bromo-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-benzoyl-4-bromo-1H-isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-4-bromo-1H-isoquinoline-1-carbonitrile Formula: C17H11BrN2O MolecularWeight: 339.18604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C3C2C#N)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C3C2C#N)Br

InChI

InChI=1S/C17H11BrN2O/c18-15-11-20(17(21)12-6-2-1-3-7-12)16(10-19)14-9-5-4-8-13(14)15/h1-9,11,16H