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

Systemtic Name: (E)-4-isoquinolin-1-yl-1-pyridin-3-yl-but-3-en-2-one Openeye Name: (E)-4-(1-isoquinolyl)-1-(3-pyridyl)but-3-en-2-one CAS Name: (E)-4-(1-isoquinolinyl)-1-(3-pyridinyl)-3-buten-2-one IUPAC Name: (E)-4-isoquinolin-1-yl-1-pyridin-3-ylbut-3-en-2-one Traditional Name: (E)-4-(1-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=CC=C2C(=C1)C=CN=C2C=CC(=O)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2/C=C/C(=O)CC3=CN=CC=C3

InChI

InChI=1S/C18H14N2O/c21-16(12-14-4-3-10-19-13-14)7-8-18-17-6-2-1-5-15(17)9-11-20-18/h1-11,13H,12H2/b8-7+