2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCC3=CC=CC=C3C2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC(=O)N2CCC3=CC=CC=C3C2)OCC#N

InChI

InChI=1S/C21H20N2O3/c1-25-20-14-16(6-8-19(20)26-13-11-22)7-9-21(24)23-12-10-17-4-2-3-5-18(17)15-23/h2-9,14H,10,12-13,15H2,1H3