3-[(3-chlorophenyl)carbonylamino]-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(3-chlorophenyl)carbonylamino]-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3-chlorobenzoyl)amino]-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid CAS Name: 3-[[(3-chlorophenyl)-oxomethyl]amino]-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(3-chlorobenzoyl)amino]-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(3-chlorobenzoyl)amino]-4-[4-(2-pyrimidyl)piperazino]benzoic acid Formula: C22H20ClN5O3 MolecularWeight: 437.8789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN5O3/c23-17-4-1-3-15(13-17)20(29)26-18-14-16(21(30)31)5-6-19(18)27-9-11-28(12-10-27)22-24-7-2-8-25-22/h1-8,13-14H,9-12H2,(H,26,29)(H,30,31)