2-[1-(4-chlorophenyl)isoquinolin-5-yl]propanenitrile

Systemtic Name: 2-[1-(4-chlorophenyl)isoquinolin-5-yl]propanenitrile Openeye Name: 2-[1-(4-chlorophenyl)-5-isoquinolyl]propanenitrile CAS Name: 2-[1-(4-chlorophenyl)-5-isoquinolinyl]propanenitrile IUPAC Name: 2-[1-(4-chlorophenyl)isoquinolin-5-yl]propanenitrile Traditional Name: 2-[1-(4-chlorophenyl)-5-isoquinolyl]propionitrile Formula: C18H13ClN2 MolecularWeight: 292.76222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC=CC2=C1C=CN=C2C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C#N)C1=CC=CC2=C1C=CN=C2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClN2/c1-12(11-20)15-3-2-4-17-16(15)9-10-21-18(17)13-5-7-14(19)8-6-13/h2-10,12H,1H3