2-[2-[[3-[(7-chloranylisoquinolin-3-yl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]ethanenitrile

Systemtic Name: 2-[2-[[3-[(7-chloranylisoquinolin-3-yl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]ethanenitrile Openeye Name: 2-[2-[[3-[(7-chloro-3-isoquinolyl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]acetonitrile CAS Name: 2-[2-[[3-[(7-chloro-3-isoquinolinyl)methoxy]phenoxy]methyl]-6-methylphenoxy]acetonitrile IUPAC Name: 2-[2-[[3-[(7-chloroisoquinolin-3-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]acetonitrile Traditional Name: 2-[2-[[3-[(7-chloro-3-isoquinolyl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]acetonitrile Formula: C26H21ClN2O3 MolecularWeight: 444.90954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCC3=NC=C4C=C(C=CC4=C3)Cl)OCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCC3=NC=C4C=C(C=CC4=C3)Cl)OCC#N

InChI

InChI=1S/C26H21ClN2O3/c1-18-4-2-5-20(26(18)30-11-10-28)16-31-24-6-3-7-25(14-24)32-17-23-13-19-8-9-22(27)12-21(19)15-29-23/h2-9,12-15H,11,16-17H2,1H3