2-[[4-(6-cyanoquinoxalin-2-yl)piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(6-cyanoquinoxalin-2-yl)piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(6-cyanoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid CAS Name: 2-[[[4-(6-cyano-2-quinoxalinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(6-cyanoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 2-[[4-(6-cyanoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C3C=C(C=CC3=N2)C#N)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CN=C3C=C(C=CC3=N2)C#N)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H18N6O3/c22-12-14-5-6-17-18(11-14)23-13-19(24-17)26-7-9-27(10-8-26)21(30)25-16-4-2-1-3-15(16)20(28)29/h1-6,11,13H,7-10H2,(H,25,30)(H,28,29)