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

Systemtic Name: 2-[4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-prop-1-enyl]phenoxy]acetonitrile Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C=CC3=CC=C(C=C3)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2/c21-12-14-24-19-8-5-16(6-9-19)7-10-20(23)22-13-11-17-3-1-2-4-18(17)15-22/h1-10H,11,13-15H2/b10-7+