3-[1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzenecarbonitrile

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzenecarbonitrile Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzonitrile CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzonitrile IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzonitrile Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzonitrile Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCC(C3=CC4=C(C=C3)OCO4)OC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCC(C3=CC4=C(C=C3)OCO4)OC5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H24N2O3/c27-16-19-4-3-7-23(14-19)31-24(21-8-9-25-26(15-21)30-18-29-25)11-13-28-12-10-20-5-1-2-6-22(20)17-28/h1-9,14-15,24H,10-13,17-18H2