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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-bromophenyl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-bromophenyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(3-bromophenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-bromophenyl)quinolin-4-yl]methanone Traditional Name: [2-(3-bromophenyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C28H24BrN3O3 MolecularWeight: 530.41246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC(=CC=C6)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC(=CC=C6)Br

InChI

InChI=1S/C28H24BrN3O3/c29-21-5-3-4-20(15-21)25-16-23(22-6-1-2-7-24(22)30-25)28(33)32-12-10-31(11-13-32)17-19-8-9-26-27(14-19)35-18-34-26/h1-9,14-16H,10-13,17-18H2