[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 3-bromanylbenzoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 3-bromanylbenzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H23BrN2O3/c1-16(27-21(26)18-8-5-9-19(22)14-18)20(25)24-12-10-23(11-13-24)15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3