3-(1,3-benzodioxol-5-ylmethylamino)-2H-isoquinolin-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-2H-isoquinolin-1-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-2H-isoquinolin-1-one CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-2H-isoquinolin-1-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-2H-isoquinolin-1-one Traditional Name: 3-(piperonylamino)isocarbostyril Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C17H14N2O3/c20-17-13-4-2-1-3-12(13)8-16(19-17)18-9-11-5-6-14-15(7-11)22-10-21-14/h1-8H,9-10H2,(H2,18,19,20)