6-[4-(isoquinolin-1-ylmethyl)phenyl]hex-5-ynenitrile

Systemtic Name: 6-[4-(isoquinolin-1-ylmethyl)phenyl]hex-5-ynenitrile Openeye Name: 6-[4-(1-isoquinolylmethyl)phenyl]hex-5-ynenitrile CAS Name: 6-[4-(1-isoquinolinylmethyl)phenyl]-5-hexynenitrile IUPAC Name: 6-[4-(isoquinolin-1-ylmethyl)phenyl]hex-5-ynenitrile Traditional Name: 6-[4-(1-isoquinolylmethyl)phenyl]hex-5-ynenitrile Formula: C22H18N2 MolecularWeight: 310.39172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)C#CCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)C#CCCCC#N

InChI

InChI=1S/C22H18N2/c23-15-6-2-1-3-7-18-10-12-19(13-11-18)17-22-21-9-5-4-8-20(21)14-16-24-22/h4-5,8-14,16H,1-2,6,17H2