2-[1-[(2-fluoranyl-5-propan-2-yloxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-4-yl]ethanenitrile

Systemtic Name: 2-[1-[(2-fluoranyl-5-propan-2-yloxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-4-yl]ethanenitrile Openeye Name: 2-[1-[(2-fluoro-5-isopropoxy-phenyl)methyl]-6,7-dimethoxy-4-isoquinolyl]acetonitrile CAS Name: 2-[1-[(2-fluoro-5-propan-2-yloxyphenyl)methyl]-6,7-dimethoxy-4-isoquinolinyl]acetonitrile IUPAC Name: 2-[1-[(2-fluoro-5-propan-2-yloxyphenyl)methyl]-6,7-dimethoxyisoquinolin-4-yl]acetonitrile Traditional Name: 2-[1-(2-fluoro-5-isopropoxy-benzyl)-6,7-dimethoxy-4-isoquinolyl]acetonitrile Formula: C23H23FN2O3 MolecularWeight: 394.438723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)F)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CC#N

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)F)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CC#N

InChI

InChI=1S/C23H23FN2O3/c1-14(2)29-17-5-6-20(24)16(9-17)10-21-19-12-23(28-4)22(27-3)11-18(19)15(7-8-25)13-26-21/h5-6,9,11-14H,7,10H2,1-4H3