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

Systemtic Name: 3-azanyl-2-prop-2-ynyl-isoquinolin-1-one Openeye Name: 3-amino-2-prop-2-ynyl-isoquinolin-1-one CAS Name: 3-amino-2-prop-2-ynyl-1-isoquinolinone IUPAC Name: 3-amino-2-prop-2-ynylisoquinolin-1-one Traditional Name: 3-amino-2-propargyl-isocarbostyril Formula: C12H10N2O MolecularWeight: 198.2206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O/c1-2-7-14-11(13)8-9-5-3-4-6-10(9)12(14)15/h1,3-6,8H,7,13H2