4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-3-ethoxy-benzenecarbonitrile

Systemtic Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-3-ethoxy-benzenecarbonitrile Openeye Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-3-ethoxy-benzonitrile CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-ethoxybenzonitrile IUPAC Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-ethoxybenzonitrile Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-3-ethoxy-benzonitrile Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H20N2O3/c1-2-24-19-11-15(12-21)7-8-18(19)25-14-20(23)22-10-9-16-5-3-4-6-17(16)13-22/h3-8,11H,2,9-10,13-14H2,1H3