2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C20H22N2O2/c21-11-9-16-5-7-20(8-6-16)24-15-19(23)14-22-12-10-17-3-1-2-4-18(17)13-22/h1-8,19,23H,9-10,12-15H2