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

Systemtic Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]quinoxaline-2-carboxamide Openeye Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]quinoxaline-2-carboxamide CAS Name: N-[3-cyano-4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]quinoxaline-2-carboxamide Traditional Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazino]phenyl]quinoxaline-2-carboxamide Formula: C22H22N6O2 MolecularWeight: 402.44908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)C#N

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)C#N

InChI

InChI=1S/C22H22N6O2/c23-14-16-13-17(5-6-21(16)28-9-7-27(8-10-28)11-12-29)25-22(30)20-15-24-18-3-1-2-4-19(18)26-20/h1-6,13,15,29H,7-12H2,(H,25,30)