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

Systemtic Name: (Z)-2-cyano-3-isoquinolin-3-yl-N-phenethyl-prop-2-enamide Openeye Name: (Z)-2-cyano-3-(3-isoquinolyl)-N-phenethyl-prop-2-enamide CAS Name: (Z)-2-cyano-3-(3-isoquinolinyl)-N-phenethyl-2-propenamide IUPAC Name: (Z)-2-cyano-3-isoquinolin-3-yl-N-phenethylprop-2-enamide Traditional Name: (Z)-2-cyano-3-(3-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=CC3=CC=CC=C3C=N2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)/C(=C\C2=CC3=CC=CC=C3C=N2)/C#N

InChI

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