HEXAHYDRO-2-OXO-N-(3,3,5-TRIMETHYL-5-((TETRAHYDRO-3,5-BIS((5-ISOCYANATO-1,3,3-TRIMETHYLCYCLOHEXYL)METHYL)-2,4,6-TRIOXO-1,3,5-TRIAZIN-1(2H)-YL)METHYL)CYCLOHEXYL)-1H-AZEPINE-1-CARBOXAMIDE

Details

Stereochemistry	MIXED
Molecular Formula	C42H65N7O7
Molecular Weight	780.0082
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of HEXAHYDRO-2-OXO-N-(3,3,5-TRIMETHYL-5-((TETRAHYDRO-3,5-BIS((5-ISOCYANATO-1,3,3-TRIMETHYLCYCLOHEXYL)METHYL)-2,4,6-TRIOXO-1,3,5-TRIAZIN-1(2H)-YL)METHYL)CYCLOHEXYL)-1H-AZEPINE-1-CARBOXAMIDE

Structure Search

SMILES

CC1(C)CC(CC(C)(CN2C(=O)N(CC3(C)CC(CC(C)(C)C3)N=C=O)C(=O)N(CC4(C)CC(CC(C)(C)C4)N=C=O)C2=O)C1)NC(=O)N5CCCCCC5=O

InChI

InChIKey=CNJPXTNLTQOBJY-UHFFFAOYSA-N

InChI=1S/C42H65N7O7/c1-37(2)15-29(43-27-50)18-40(7,21-37)24-47-34(54)48(25-41(8)19-30(44-28-51)16-38(3,4)22-41)36(56)49(35(47)55)26-42(9)20-31(17-39(5,6)23-42)45-33(53)46-14-12-10-11-13-32(46)52/h29-31H,10-26H2,1-9H3,(H,45,53)

HIDE SMILES / InChI

Molecular Formula	C42H65N7O7
Molecular Weight	780.0082
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 6
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:39:56 GMT 2025` Edited by `admin` on `Mon Mar 31 22:39:56 GMT 2025`
Record UNII	5YJ678VC9N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXAHYDRO-2-OXO-N-(3,3,5-TRIMETHYL-5-((TETRAHYDRO-3,5-BIS((5-ISOCYANATO-1,3,3-TRIMETHYLCYCLOHEXYL)METHYL)-2,4,6-TRIOXO-1,3,5-TRIAZIN-1(2H)-YL)METHYL)CYCLOHEXYL)-1H-AZEPINE-1-CARBOXAMIDE

Common Name

English

1H-AZEPINE-1-CARBOXAMIDE, HEXAHYDRO-2-OXO-N-(3,3,5-TRIMETHYL-5-((TETRAHYDRO-3,5-BIS((5-ISOCYANATO-1,3,3-TRIMETHYLCYCLOHEXYL)METHYL)-2,4,6-TRIOXO-1,3,5-TRIAZIN-1(2H)-YL)METHYL)CYCLOHEXYL)-

Preferred Name

English

Classification Tree Code System Code

Food Contact Sustance Notif, (FCN No.)

FCN NO. 1229