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

Systemtic Name: 4-[[4-[(E)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-prop-1-enyl]phenoxy]methyl]benzonitrile CAS Name: 4-[[4-[(E)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]phenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]phenoxy]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-prop-1-enyl]phenoxy]methyl]benzonitrile Formula: C27H21N3O2 MolecularWeight: 419.47454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)C#N)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)C#N)/C#N

InChI

InChI=1S/C27H21N3O2/c28-16-21-5-7-22(8-6-21)19-32-26-11-9-20(10-12-26)15-25(17-29)27(31)30-14-13-23-3-1-2-4-24(23)18-30/h1-12,15H,13-14,18-19H2/b25-15+