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

Systemtic Name: 2-[[4-(6-azanylquinoxalin-2-yl)piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(6-aminoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid CAS Name: 2-[[[4-(6-amino-2-quinoxalinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(6-aminoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 2-[[4-(6-aminoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O3/c21-13-5-6-16-17(11-13)22-12-18(23-16)25-7-9-26(10-8-25)20(29)24-15-4-2-1-3-14(15)19(27)28/h1-6,11-12H,7-10,21H2,(H,24,29)(H,27,28)