N-[[3-[4-(2-methyl-7-morpholin-4-yl-7-oxidanylidene-heptan-2-yl)-2-oxidanyl-phenyl]phenyl]methyl]pyrazine-2-carboxamide

Systemtic Name: N-[[3-[4-(2-methyl-7-morpholin-4-yl-7-oxidanylidene-heptan-2-yl)-2-oxidanyl-phenyl]phenyl]methyl]pyrazine-2-carboxamide Openeye Name: N-[[3-[4-(1,1-dimethyl-6-morpholino-6-oxo-hexyl)-2-hydroxy-phenyl]phenyl]methyl]pyrazine-2-carboxamide CAS Name: N-[[3-[2-hydroxy-4-[2-methyl-7-(4-morpholinyl)-7-oxoheptan-2-yl]phenyl]phenyl]methyl]-2-pyrazinecarboxamide IUPAC Name: N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]pyrazine-2-carboxamide Traditional Name: N-[3-[2-hydroxy-4-(6-keto-1,1-dimethyl-6-morpholino-hexyl)phenyl]benzyl]pyrazinamide Formula: C30H36N4O4 MolecularWeight: 516.63124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N4O4/c1-30(2,11-4-3-8-28(36)34-14-16-38-17-15-34)24-9-10-25(27(35)19-24)23-7-5-6-22(18-23)20-33-29(37)26-21-31-12-13-32-26/h5-7,9-10,12-13,18-19,21,35H,3-4,8,11,14-17,20H2,1-2H3,(H,33,37)