[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(quinolin-2-ylmethoxy)phenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(quinolin-2-ylmethoxy)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(2-quinolylmethoxy)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-(2-quinolinylmethoxy)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(quinolin-2-ylmethoxy)phenyl]methanone Traditional Name: (4-piperonylpiperazino)-[4-(2-quinolylmethoxy)phenyl]methanone Formula: C29H27N3O4 MolecularWeight: 481.54238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H27N3O4/c33-29(32-15-13-31(14-16-32)18-21-5-12-27-28(17-21)36-20-35-27)23-7-10-25(11-8-23)34-19-24-9-6-22-3-1-2-4-26(22)30-24/h1-12,17H,13-16,18-20H2