3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]-N-phenyl-1H-quinoxaline-2-carboxamide

Systemtic Name: 3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]-N-phenyl-1H-quinoxaline-2-carboxamide Openeye Name: 3-cyano-N-phenyl-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)-1H-quinoxaline-2-carboxamide CAS Name: 3-cyano-4-[4-(4-oxanyl)-1-piperazinyl]-N-phenyl-1H-quinoxaline-2-carboxamide IUPAC Name: 3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]-N-phenyl-1H-quinoxaline-2-carboxamide Traditional Name: 3-cyano-N-phenyl-4-(4-tetrahydropyran-4-ylpiperazino)-1H-quinoxaline-2-carboxamide Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2CCN(CC2)N3C4=CC=CC=C4NC(=C3C#N)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1COCCC1N2CCN(CC2)N3C4=CC=CC=C4NC(=C3C#N)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2/c26-18-23-24(25(32)27-19-6-2-1-3-7-19)28-21-8-4-5-9-22(21)31(23)30-14-12-29(13-15-30)20-10-16-33-17-11-20/h1-9,20,28H,10-17H2,(H,27,32)