methyl 3-[(4-bromophenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(4-bromophenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-bromobenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(4-bromophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-bromobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(4-bromobenzoyl)amino]benzoic acid methyl ester Formula: C26H24BrN3O4 MolecularWeight: 522.39046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H24BrN3O4/c1-34-26(33)20-9-12-23(22(17-20)28-24(31)18-7-10-21(27)11-8-18)29-13-15-30(16-14-29)25(32)19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3,(H,28,31)