(E)-4-isoquinolin-5-yl-1-pyridin-3-yl-but-3-en-2-one

Systemtic Name: (E)-4-isoquinolin-5-yl-1-pyridin-3-yl-but-3-en-2-one Openeye Name: (E)-4-(5-isoquinolyl)-1-(3-pyridyl)but-3-en-2-one CAS Name: (E)-4-(5-isoquinolinyl)-1-(3-pyridinyl)-3-buten-2-one IUPAC Name: (E)-4-isoquinolin-5-yl-1-pyridin-3-ylbut-3-en-2-one Traditional Name: (E)-4-(5-isoquinolyl)-1-(3-pyridyl)but-3-en-2-one Formula: C18H14N2O MolecularWeight: 274.31656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)C=CC(=O)CC3=CN=CC=C3

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)/C=C/C(=O)CC3=CN=CC=C3

InChI

InChI=1S/C18H14N2O/c21-17(11-14-3-2-9-19-12-14)7-6-15-4-1-5-16-13-20-10-8-18(15)16/h1-10,12-13H,11H2/b7-6+