(E)-N-isoquinolin-6-yl-3-[4-(2-phenylprop-2-enoyl)phenyl]prop-2-enamide

Systemtic Name: (E)-N-isoquinolin-6-yl-3-[4-(2-phenylprop-2-enoyl)phenyl]prop-2-enamide Openeye Name: (E)-N-(6-isoquinolyl)-3-[4-(2-phenylprop-2-enoyl)phenyl]prop-2-enamide CAS Name: (E)-N-(6-isoquinolinyl)-3-[4-(1-oxo-2-phenylprop-2-enyl)phenyl]-2-propenamide IUPAC Name: (E)-N-isoquinolin-6-yl-3-[4-(2-phenylprop-2-enoyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(4-atropoylphenyl)-N-(6-isoquinolyl)acrylamide Formula: C27H20N2O2 MolecularWeight: 404.4599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C=C(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C27H20N2O2/c1-19(21-5-3-2-4-6-21)27(31)22-10-7-20(8-11-22)9-14-26(30)29-25-13-12-24-18-28-16-15-23(24)17-25/h2-18H,1H2,(H,29,30)/b14-9+