4-(1,3-benzodioxol-5-ylmethyl)-2H-isoquinolin-1-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-2H-isoquinolin-1-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-2H-isoquinolin-1-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2H-isoquinolin-1-one IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-2H-isoquinolin-1-one Traditional Name: 4-piperonylisocarbostyril Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=CNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=CNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C17H13NO3/c19-17-14-4-2-1-3-13(14)12(9-18-17)7-11-5-6-15-16(8-11)21-10-20-15/h1-6,8-9H,7,10H2,(H,18,19)