3-[butyl(methyl)amino]-6-(morpholin-4-ylmethyl)-7-oxidanyl-7-phenyl-azepane-2,5-dione

Systemtic Name: 3-[butyl(methyl)amino]-6-(morpholin-4-ylmethyl)-7-oxidanyl-7-phenyl-azepane-2,5-dione Openeye Name: 3-[butyl(methyl)amino]-7-hydroxy-6-(morpholinomethyl)-7-phenyl-azepane-2,5-dione CAS Name: 3-[butyl(methyl)amino]-7-hydroxy-6-(4-morpholinylmethyl)-7-phenylazepane-2,5-dione IUPAC Name: 3-[butyl(methyl)amino]-7-hydroxy-6-(morpholin-4-ylmethyl)-7-phenylazepane-2,5-dione Traditional Name: 3-[butyl(methyl)amino]-7-hydroxy-6-(morpholinomethyl)-7-phenyl-azepane-2,5-quinone Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1CC(=O)C(C(NC1=O)(C2=CC=CC=C2)O)CN3CCOCC3

Isomeric SMILES

CCCCN(C)C1CC(=O)C(C(NC1=O)(C2=CC=CC=C2)O)CN3CCOCC3

InChI

InChI=1S/C22H33N3O4/c1-3-4-10-24(2)19-15-20(26)18(16-25-11-13-29-14-12-25)22(28,23-21(19)27)17-8-6-5-7-9-17/h5-9,18-19,28H,3-4,10-16H2,1-2H3,(H,23,27)