[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

Systemtic Name: [4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Openeye Name: [4-(2-bromo-5-methoxy-benzoyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone CAS Name: [4-[(2-bromo-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone IUPAC Name: [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Traditional Name: [4-(2-bromo-5-methoxy-benzoyl)piperazino]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21BrN2O5/c1-27-14-6-7-16(22)15(12-14)20(25)23-8-10-24(11-9-23)21(26)19-13-28-17-4-2-3-5-18(17)29-19/h2-7,12,19H,8-11,13H2,1H3