5-[(4-chlorophenyl)carbonylamino]-2-(4-quinazolin-4-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(4-chlorophenyl)carbonylamino]-2-(4-quinazolin-4-ylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(4-chlorobenzoyl)amino]-2-(4-quinazolin-4-ylpiperazin-1-yl)benzoic acid CAS Name: 5-[[(4-chlorophenyl)-oxomethyl]amino]-2-[4-(4-quinazolinyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-chlorobenzoyl)amino]-2-(4-quinazolin-4-ylpiperazin-1-yl)benzoic acid Traditional Name: 5-[(4-chlorobenzoyl)amino]-2-(4-quinazolin-4-ylpiperazino)benzoic acid Formula: C26H22ClN5O3 MolecularWeight: 487.93758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O)C4=NC=NC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O)C4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C26H22ClN5O3/c27-18-7-5-17(6-8-18)25(33)30-19-9-10-23(21(15-19)26(34)35)31-11-13-32(14-12-31)24-20-3-1-2-4-22(20)28-16-29-24/h1-10,15-16H,11-14H2,(H,30,33)(H,34,35)