(Z)-2-cyano-3-isoquinolin-5-yl-N-phenethyl-prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-isoquinolin-5-yl-N-phenethyl-prop-2-enamide Openeye Name: (Z)-2-cyano-3-(5-isoquinolyl)-N-phenethyl-prop-2-enamide CAS Name: (Z)-2-cyano-3-(5-isoquinolinyl)-N-phenethyl-2-propenamide IUPAC Name: (Z)-2-cyano-3-isoquinolin-5-yl-N-phenethylprop-2-enamide Traditional Name: (Z)-2-cyano-3-(5-isoquinolyl)-N-phenethyl-acrylamide Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=CC2=CC=CC3=C2C=CN=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)/C(=C\C2=CC=CC3=C2C=CN=C3)/C#N

InChI

InChI=1S/C21H17N3O/c22-14-19(21(25)24-12-9-16-5-2-1-3-6-16)13-17-7-4-8-18-15-23-11-10-20(17)18/h1-8,10-11,13,15H,9,12H2,(H,24,25)/b19-13-