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

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]quinoline Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]quinoline CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]quinoline IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]quinoline Traditional Name: 3-[(4-piperonylpiperazino)methyl]quinoline Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC5=CC=CC=C5N=C4

InChI

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