methyl 4-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(3-bromobenzyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H24BrN3O3/c1-28-21(27)17-5-7-19(8-6-17)23-20(26)15-25-11-9-24(10-12-25)14-16-3-2-4-18(22)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)