1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]isoquinoline

Systemtic Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]isoquinoline Openeye Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]isoquinoline CAS Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-piperazinyl]isoquinoline IUPAC Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]isoquinoline Traditional Name: 1-(4-homopiperonylpiperazino)isoquinoline Formula: C22H23N3O2 MolecularWeight: 361.43692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)OCO3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)OCO3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C22H23N3O2/c1-2-4-19-18(3-1)7-9-23-22(19)25-13-11-24(12-14-25)10-8-17-5-6-20-21(15-17)27-16-26-20/h1-7,9,15H,8,10-14,16H2