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

Systemtic Name: 3-[(3-chlorophenyl)carbonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3-chlorobenzoyl)amino]-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 3-[[(3-chlorophenyl)-oxomethyl]amino]-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(3-chlorobenzoyl)amino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(3-chlorobenzoyl)amino]-4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C23H21ClN4O3 MolecularWeight: 436.89084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O3/c24-18-5-3-4-16(14-18)22(29)26-19-15-17(23(30)31)7-8-20(19)27-10-12-28(13-11-27)21-6-1-2-9-25-21/h1-9,14-15H,10-13H2,(H,26,29)(H,30,31)