[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazinyl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Traditional Name: [4-(3-bromobenzyl)piperazino]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H21BrN2O3/c21-16-5-3-4-15(12-16)13-22-8-10-23(11-9-22)20(24)19-14-25-17-6-1-2-7-18(17)26-19/h1-7,12,19H,8-11,13-14H2