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

Systemtic Name: 5-bromanyl-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-5-bromo-1H-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-5-bromo-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-benzoyl-5-bromo-1H-isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-5-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=CC3=C(C2C#N)C=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=CC3=C(C2C#N)C=CC=C3Br

InChI

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