1-ethyl-2-[(E)-3-phenylprop-2-enoyl]isoquinoline-1-carbonitrile

Systemtic Name: 1-ethyl-2-[(E)-3-phenylprop-2-enoyl]isoquinoline-1-carbonitrile Openeye Name: 1-ethyl-2-[(E)-3-phenylprop-2-enoyl]isoquinoline-1-carbonitrile CAS Name: 1-ethyl-2-[(E)-1-oxo-3-phenylprop-2-enyl]-1-isoquinolinecarbonitrile IUPAC Name: 1-ethyl-2-[(E)-3-phenylprop-2-enoyl]isoquinoline-1-carbonitrile Traditional Name: 1-ethyl-2-[(E)-3-phenylacryloyl]isoquinoline-1-carbonitrile Formula: C21H18N2O MolecularWeight: 314.38042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C=CN1C(=O)C=CC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1(C2=CC=CC=C2C=CN1C(=O)/C=C/C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H18N2O/c1-2-21(16-22)19-11-7-6-10-18(19)14-15-23(21)20(24)13-12-17-8-4-3-5-9-17/h3-15H,2H2,1H3/b13-12+