1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]isoquinoline

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]isoquinoline Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]isoquinoline CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]isoquinoline IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]isoquinoline Traditional Name: 1-(4-piperonylpiperazino)isoquinoline Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C21H21N3O2/c1-2-4-18-17(3-1)7-8-22-21(18)24-11-9-23(10-12-24)14-16-5-6-19-20(13-16)26-15-25-19/h1-8,13H,9-12,14-15H2