3-[1,3-benzodioxol-5-yl(piperazin-1-yl)methyl]quinoline

Systemtic Name: 3-[1,3-benzodioxol-5-yl(piperazin-1-yl)methyl]quinoline Openeye Name: 3-[1,3-benzodioxol-5-yl(piperazin-1-yl)methyl]quinoline CAS Name: 3-[1,3-benzodioxol-5-yl(1-piperazinyl)methyl]quinoline IUPAC Name: 3-[1,3-benzodioxol-5-yl(piperazin-1-yl)methyl]quinoline Traditional Name: 3-[1,3-benzodioxol-5-yl(piperazino)methyl]quinoline Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CCN1)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5N=C4

InChI

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