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

Systemtic Name: 4-bromanyl-3-phenyl-2-prop-2-ynyl-isoquinolin-1-one Openeye Name: 4-bromo-3-phenyl-2-prop-2-ynyl-isoquinolin-1-one CAS Name: 4-bromo-3-phenyl-2-prop-2-ynyl-1-isoquinolinone IUPAC Name: 4-bromo-3-phenyl-2-prop-2-ynylisoquinolin-1-one Traditional Name: 4-bromo-3-phenyl-2-propargyl-isocarbostyril Formula: C18H12BrNO MolecularWeight: 338.19798

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=C(C2=CC=CC=C2C1=O)Br)C3=CC=CC=C3

Isomeric SMILES

C#CCN1C(=C(C2=CC=CC=C2C1=O)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H12BrNO/c1-2-12-20-17(13-8-4-3-5-9-13)16(19)14-10-6-7-11-15(14)18(20)21/h1,3-11H,12H2