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Reference substances

Reference substances

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General information

Inventory

EC number:
258-981-8
EC name:
N,N'-(methylenedi-p-phenylene)bis[hexahydro-2-oxo-1H-azepine-1-carboxamide]
CAS number:
54112-23-1

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Reference substance information

IUPAC name:
2-oxo-N-[4-({4-[(2-oxoazepane-1-carbonyl)amino]phenyl}methyl)phenyl]azepane-1-carboxamide
Synonyms
Names:
1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis hexahydro-2-oxo-
1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis[hexahydro-2-oxo-
1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis[hexahydro-2-oxo-]
Identifier:
CAS number
54112-23-1
N,N'-(methylenedi-4,1-phenylene)bis(2-oxoazepane-1-carboxamide)

CAS information

CAS number:
54112-23-1

Molecular and structural information

Molecular formula:
C27H32N4O4
Molecular weight:
476.567
SMILES notation:
O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCCCCC3=O)cc2)cc1)N4CCCCCC4=O
InChl:
InChI=1/C27H32N4O4/c32-24-7-3-1-5-17-30(24)26(34)28-22-13-9-20(10-14-22)19-21-11-15-23(16-12-21)29-27(35)31-18-6-2-4-8-25(31)33/h9-16H,1-8,17-19H2,(H,28,34)(H,29,35)
Structural formula:
Chemical structure