[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(3-bromobenzyl)piperazino]-(3,4,5-trimethoxyphenyl)methanone Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H25BrN2O4/c1-26-18-12-16(13-19(27-2)20(18)28-3)21(25)24-9-7-23(8-10-24)14-15-5-4-6-17(22)11-15/h4-6,11-13H,7-10,14H2,1-3H3