[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(2-bromophenyl)methyl]-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(2-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=C3Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=CC=CC=C3Br

InChI

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