2-(phenylcarbonyl)-1-[(E)-3-phenylprop-2-enyl]isoquinoline-1-carbonitrile

Systemtic Name: 2-(phenylcarbonyl)-1-[(E)-3-phenylprop-2-enyl]isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[(E)-cinnamyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[(E)-3-phenylprop-2-enyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[(E)-3-phenylprop-2-enyl]isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-[(E)-cinnamyl]isoquinoline-1-carbonitrile Formula: C26H20N2O MolecularWeight: 376.4498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H20N2O/c27-20-26(18-9-12-21-10-3-1-4-11-21)24-16-8-7-13-22(24)17-19-28(26)25(29)23-14-5-2-6-15-23/h1-17,19H,18H2/b12-9+