4-[3-(isoquinolin-1-ylmethoxy)phenoxy]butanenitrile

Systemtic Name: 4-[3-(isoquinolin-1-ylmethoxy)phenoxy]butanenitrile Openeye Name: 4-[3-(1-isoquinolylmethoxy)phenoxy]butanenitrile CAS Name: 4-[3-(1-isoquinolinylmethoxy)phenoxy]butanenitrile IUPAC Name: 4-[3-(isoquinolin-1-ylmethoxy)phenoxy]butanenitrile Traditional Name: 4-[3-(1-isoquinolylmethoxy)phenoxy]butyronitrile Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2COC3=CC(=CC=C3)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2COC3=CC(=CC=C3)OCCCC#N

InChI

InChI=1S/C20H18N2O2/c21-11-3-4-13-23-17-7-5-8-18(14-17)24-15-20-19-9-2-1-6-16(19)10-12-22-20/h1-2,5-10,12,14H,3-4,13,15H2