4-[4-(isoquinolin-1-ylmethyl)phenoxy]butanenitrile

Systemtic Name: 4-[4-(isoquinolin-1-ylmethyl)phenoxy]butanenitrile Openeye Name: 4-[4-(1-isoquinolylmethyl)phenoxy]butanenitrile CAS Name: 4-[4-(1-isoquinolinylmethyl)phenoxy]butanenitrile IUPAC Name: 4-[4-(isoquinolin-1-ylmethyl)phenoxy]butanenitrile Traditional Name: 4-[4-(1-isoquinolylmethyl)phenoxy]butyronitrile Formula: C20H18N2O MolecularWeight: 302.36972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O/c21-12-3-4-14-23-18-9-7-16(8-10-18)15-20-19-6-2-1-5-17(19)11-13-22-20/h1-2,5-11,13H,3-4,14-15H2