2-[4-[[1-ethyl-2,3-bis(oxidanylidene)-4H-quinoxalin-6-yl]carbonyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[1-ethyl-2,3-bis(oxidanylidene)-4H-quinoxalin-6-yl]carbonyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(1-ethyl-2,3-dioxo-4H-quinoxalin-6-yl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(1-ethyl-2,3-diketo-4H-quinoxaline-6-carbonyl)piperazino]isonicotinonitrile Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N)NC(=O)C1=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N)NC(=O)C1=O

InChI

InChI=1S/C21H20N6O3/c1-2-27-17-4-3-15(12-16(17)24-19(28)21(27)30)20(29)26-9-7-25(8-10-26)18-11-14(13-22)5-6-23-18/h3-6,11-12H,2,7-10H2,1H3,(H,24,28)