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

Systemtic Name: 5-chloranyl-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-5-chloro-1H-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-5-chloro-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-benzoyl-5-chloro-1H-isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-5-chloro-1H-isoquinoline-1-carbonitrile Formula: C17H11ClN2O MolecularWeight: 294.73504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=CC3=C(C2C#N)C=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=CC3=C(C2C#N)C=CC=C3Cl

InChI

InChI=1S/C17H11ClN2O/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