3-phenyl-2-prop-2-ynyl-isoquinolin-1-one

Systemtic Name: 3-phenyl-2-prop-2-ynyl-isoquinolin-1-one Openeye Name: 3-phenyl-2-prop-2-ynyl-isoquinolin-1-one CAS Name: 3-phenyl-2-prop-2-ynyl-1-isoquinolinone IUPAC Name: 3-phenyl-2-prop-2-ynylisoquinolin-1-one Traditional Name: 3-phenyl-2-propargyl-isocarbostyril Formula: C18H13NO MolecularWeight: 259.30192

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=CC2=CC=CC=C2C1=O)C3=CC=CC=C3

Isomeric SMILES

C#CCN1C(=CC2=CC=CC=C2C1=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13NO/c1-2-12-19-17(14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)18(19)20/h1,3-11,13H,12H2