3-butoxy-6-(morpholin-4-ylmethyl)-7-oxidanyl-7-phenyl-azepane-2,5-dione

Systemtic Name: 3-butoxy-6-(morpholin-4-ylmethyl)-7-oxidanyl-7-phenyl-azepane-2,5-dione Openeye Name: 3-butoxy-7-hydroxy-6-(morpholinomethyl)-7-phenyl-azepane-2,5-dione CAS Name: 3-butoxy-7-hydroxy-6-(4-morpholinylmethyl)-7-phenylazepane-2,5-dione IUPAC Name: 3-butoxy-7-hydroxy-6-(morpholin-4-ylmethyl)-7-phenylazepane-2,5-dione Traditional Name: 3-butoxy-7-hydroxy-6-(morpholinomethyl)-7-phenyl-azepane-2,5-quinone Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CC(=O)C(C(NC1=O)(C2=CC=CC=C2)O)CN3CCOCC3

Isomeric SMILES

CCCCOC1CC(=O)C(C(NC1=O)(C2=CC=CC=C2)O)CN3CCOCC3

InChI

InChI=1S/C21H30N2O5/c1-2-3-11-28-19-14-18(24)17(15-23-9-12-27-13-10-23)21(26,22-20(19)25)16-7-5-4-6-8-16/h4-8,17,19,26H,2-3,9-15H2,1H3,(H,22,25)