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

Systemtic Name: methyl 3-[(4-bromophenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(4-bromobenzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(4-bromophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(4-bromobenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(4-bromobenzoyl)amino]benzoic acid methyl ester Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O4/c1-14(26)24-9-11-25(12-10-24)19-8-5-16(21(28)29-2)13-18(19)23-20(27)15-3-6-17(22)7-4-15/h3-8,13H,9-12H2,1-2H3,(H,23,27)