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

Systemtic Name: 1-(phenylcarbonyl)-2H-isoquinoline-1-carbonitrile Openeye Name: 1-benzoyl-2H-isoquinoline-1-carbonitrile CAS Name: 1-benzoyl-2H-isoquinoline-1-carbonitrile IUPAC Name: 1-benzoyl-2H-isoquinoline-1-carbonitrile Traditional Name: 1-benzoyl-2H-isoquinoline-1-carbonitrile Formula: C17H12N2O MolecularWeight: 260.28998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2(C3=CC=CC=C3C=CN2)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2(C3=CC=CC=C3C=CN2)C#N

InChI

InChI=1S/C17H12N2O/c18-12-17(16(20)14-7-2-1-3-8-14)15-9-5-4-6-13(15)10-11-19-17/h1-11,19H