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

Systemtic Name: methyl 3-[(2-bromophenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-bromobenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(2-bromophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-bromobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(2-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=CC=C4Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Br

InChI

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