2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinolin-1-one

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinolin-1-one Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]isoquinolin-1-one CAS Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-1-isoquinolinone IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]isoquinolin-1-one Traditional Name: 2-[2-keto-2-(4-piperonylpiperazino)ethyl]isocarbostyril Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C=CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C=CC5=CC=CC=C5C4=O

InChI

InChI=1S/C23H23N3O4/c27-22(15-26-8-7-18-3-1-2-4-19(18)23(26)28)25-11-9-24(10-12-25)14-17-5-6-20-21(13-17)30-16-29-20/h1-8,13H,9-12,14-16H2