4-[(E)-2-pyridin-3-ylethenyl]-2H-isoquinolin-1-one

Systemtic Name: 4-[(E)-2-pyridin-3-ylethenyl]-2H-isoquinolin-1-one Openeye Name: 4-[(E)-2-(3-pyridyl)vinyl]-2H-isoquinolin-1-one CAS Name: 4-[(E)-2-(3-pyridinyl)ethenyl]-2H-isoquinolin-1-one IUPAC Name: 4-[(E)-2-pyridin-3-ylethenyl]-2H-isoquinolin-1-one Traditional Name: 4-[(E)-2-(3-pyridyl)vinyl]isocarbostyril Formula: C16H12N2O MolecularWeight: 248.27928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC2=O)C=CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC2=O)/C=C/C3=CN=CC=C3

InChI

InChI=1S/C16H12N2O/c19-16-15-6-2-1-5-14(15)13(11-18-16)8-7-12-4-3-9-17-10-12/h1-11H,(H,18,19)/b8-7+