5-[[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-oxidanylidene-4H-quinoxalin-6-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-oxidanylidene-4H-quinoxalin-6-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-oxo-4H-quinoxalin-6-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[2-(1-methyl-3-pyrrolo[2,3-b]pyridinyl)-3-oxo-4H-quinoxalin-6-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-oxo-4H-quinoxalin-6-yl]amino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[[3-keto-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-4H-quinoxalin-6-yl]amino]valeric acid Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1N=CC=C2)C3=NC4=C(C=C(C=C4)NC(=O)CCCC(=O)O)NC3=O

Isomeric SMILES

CN1C=C(C2=C1N=CC=C2)C3=NC4=C(C=C(C=C4)NC(=O)CCCC(=O)O)NC3=O

InChI

InChI=1S/C21H19N5O4/c1-26-11-14(13-4-3-9-22-20(13)26)19-21(30)25-16-10-12(7-8-15(16)24-19)23-17(27)5-2-6-18(28)29/h3-4,7-11H,2,5-6H2,1H3,(H,23,27)(H,25,30)(H,28,29)