4-[4-(phenylcarbonyl)isoquinolin-3-yl]butanenitrile

Systemtic Name: 4-[4-(phenylcarbonyl)isoquinolin-3-yl]butanenitrile Openeye Name: 4-(4-benzoyl-3-isoquinolyl)butanenitrile CAS Name: 4-(4-benzoyl-3-isoquinolinyl)butanenitrile IUPAC Name: 4-(4-benzoylisoquinolin-3-yl)butanenitrile Traditional Name: 4-(4-benzoyl-3-isoquinolyl)butyronitrile Formula: C20H16N2O MolecularWeight: 300.35384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(N=CC3=CC=CC=C32)CCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(N=CC3=CC=CC=C32)CCCC#N

InChI

InChI=1S/C20H16N2O/c21-13-7-6-12-18-19(20(23)15-8-2-1-3-9-15)17-11-5-4-10-16(17)14-22-18/h1-5,8-11,14H,6-7,12H2