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

Systemtic Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]benzonitrile Formula: C19H20N2O2 MolecularWeight: 308.3743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2/c20-11-15-5-7-19(8-6-15)23-14-18(22)13-21-10-9-16-3-1-2-4-17(16)12-21/h1-8,18,22H,9-10,12-14H2