[4-(4-bromanyl-3,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [4-(4-bromanyl-3,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [4-(4-bromo-3,5-dimethoxy-benzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [4-[(4-bromo-3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [4-(4-bromo-3,5-dimethoxy-benzoyl)piperazino]-(3,4-dimethoxyphenyl)methanone Formula: C22H25BrN2O6 MolecularWeight: 493.3477

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)Br)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)Br)OC)OC

InChI

InChI=1S/C22H25BrN2O6/c1-28-16-6-5-14(11-17(16)29-2)21(26)24-7-9-25(10-8-24)22(27)15-12-18(30-3)20(23)19(13-15)31-4/h5-6,11-13H,7-10H2,1-4H3