5-[(4-bromophenyl)carbonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(4-bromobenzoyl)amino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-[4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 5-[(4-bromobenzoyl)amino]-2-[4-(2-pyrimidyl)piperazino]benzoic acid Formula: C22H20BrN5O3 MolecularWeight: 482.3299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O)C4=NC=CC=N4

InChI

InChI=1S/C22H20BrN5O3/c23-16-4-2-15(3-5-16)20(29)26-17-6-7-19(18(14-17)21(30)31)27-10-12-28(13-11-27)22-24-8-1-9-25-22/h1-9,14H,10-13H2,(H,26,29)(H,30,31)