4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)benzenecarbonitrile

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)benzenecarbonitrile Openeye Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile CAS Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]benzonitrile IUPAC Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile Traditional Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile Formula: C17H14N2O MolecularWeight: 262.30586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H14N2O/c18-11-13-5-7-15(8-6-13)17(20)19-10-9-14-3-1-2-4-16(14)12-19/h1-8H,9-10,12H2