3-(3-azanyl-1-oxidanylidene-isoquinolin-2-yl)propanamide

Systemtic Name: 3-(3-azanyl-1-oxidanylidene-isoquinolin-2-yl)propanamide Openeye Name: 3-(3-amino-1-oxo-2-isoquinolyl)propanamide CAS Name: 3-(3-amino-1-oxo-2-isoquinolinyl)propanamide IUPAC Name: 3-(3-amino-1-oxoisoquinolin-2-yl)propanamide Traditional Name: 3-(3-amino-1-keto-2-isoquinolyl)propionamide Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N(C2=O)CCC(=O)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N(C2=O)CCC(=O)N)N

InChI

InChI=1S/C12H13N3O2/c13-10-7-8-3-1-2-4-9(8)12(17)15(10)6-5-11(14)16/h1-4,7H,5-6,13H2,(H2,14,16)