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

Systemtic Name: 1-methyl-2-[(E)-3-phenylprop-2-enoyl]isoquinoline-1-carbonitrile Openeye Name: 1-methyl-2-[(E)-3-phenylprop-2-enoyl]isoquinoline-1-carbonitrile CAS Name: 1-methyl-2-[(E)-1-oxo-3-phenylprop-2-enyl]-1-isoquinolinecarbonitrile IUPAC Name: 1-methyl-2-[(E)-3-phenylprop-2-enoyl]isoquinoline-1-carbonitrile Traditional Name: 1-methyl-2-[(E)-3-phenylacryloyl]isoquinoline-1-carbonitrile Formula: C20H16N2O MolecularWeight: 300.35384

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C=CN1C(=O)C=CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1(C2=CC=CC=C2C=CN1C(=O)/C=C/C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H16N2O/c1-20(15-21)18-10-6-5-9-17(18)13-14-22(20)19(23)12-11-16-7-3-2-4-8-16/h2-14H,1H3/b12-11+