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5-benzamido-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid

5-benzamido-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name:5-benzamido-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid
Openeye Name:5-benzamido-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid
CAS Name:5-benzamido-2-[4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid
IUPAC Name:5-benzamido-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid
Traditional Name:5-benzamido-2-[4-(2-pyrimidyl)piperazino]benzoic acid
Formula: C22H21N5O3
MolecularWeight: 403.43384
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H21N5O3/c28-20(16-5-2-1-3-6-16)25-17-7-8-19(18(15-17)21(29)30)26-11-13-27(14-12-26)22-23-9-4-10-24-22/h1-10,15H,11-14H2,(H,25,28)(H,29,30)


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