N-[[2-[4-(2-methyl-7-morpholin-4-yl-7-oxidanylidene-heptan-2-yl)-2-oxidanyl-phenyl]phenyl]methyl]pyrazine-2-carboxamide

Systemtic Name: N-[[2-[4-(2-methyl-7-morpholin-4-yl-7-oxidanylidene-heptan-2-yl)-2-oxidanyl-phenyl]phenyl]methyl]pyrazine-2-carboxamide Openeye Name: N-[[2-[4-(1,1-dimethyl-6-morpholino-6-oxo-hexyl)-2-hydroxy-phenyl]phenyl]methyl]pyrazine-2-carboxamide CAS Name: N-[[2-[2-hydroxy-4-[2-methyl-7-(4-morpholinyl)-7-oxoheptan-2-yl]phenyl]phenyl]methyl]-2-pyrazinecarboxamide IUPAC Name: N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]pyrazine-2-carboxamide Traditional Name: N-[2-[2-hydroxy-4-(6-keto-1,1-dimethyl-6-morpholino-hexyl)phenyl]benzyl]pyrazinamide Formula: C30H36N4O4 MolecularWeight: 516.63124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC(=O)N1CCOCC1)C2=CC(=C(C=C2)C3=CC=CC=C3CNC(=O)C4=NC=CN=C4)O

Isomeric SMILES

CC(C)(CCCCC(=O)N1CCOCC1)C2=CC(=C(C=C2)C3=CC=CC=C3CNC(=O)C4=NC=CN=C4)O

InChI

InChI=1S/C30H36N4O4/c1-30(2,12-6-5-9-28(36)34-15-17-38-18-16-34)23-10-11-25(27(35)19-23)24-8-4-3-7-22(24)20-33-29(37)26-21-31-13-14-32-26/h3-4,7-8,10-11,13-14,19,21,35H,5-6,9,12,15-18,20H2,1-2H3,(H,33,37)