1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(3,4-diethoxyphenyl)ethanone

Systemtic Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(3,4-diethoxyphenyl)ethanone Openeye Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(3,4-diethoxyphenyl)ethanone CAS Name: 1-[4-[(2-bromophenyl)methyl]-1-piperazinyl]-2-(3,4-diethoxyphenyl)ethanone IUPAC Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(3,4-diethoxyphenyl)ethanone Traditional Name: 1-[4-(2-bromobenzyl)piperazino]-2-(3,4-diethoxyphenyl)ethanone Formula: C23H29BrN2O3 MolecularWeight: 461.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3Br)OCC

InChI

InChI=1S/C23H29BrN2O3/c1-3-28-21-10-9-18(15-22(21)29-4-2)16-23(27)26-13-11-25(12-14-26)17-19-7-5-6-8-20(19)24/h5-10,15H,3-4,11-14,16-17H2,1-2H3