6,8-BIS(4-(DIMETHYLAMINO)BENZYL)-1,4-DIHYDROXY-7H-BENZO(A)CYCLOHEPTEN-7-ONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H30N2O3
Molecular Weight	454.5601
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6,8-BIS(4-(DIMETHYLAMINO)BENZYL)-1,4-DIHYDROXY-7H-BENZO(A)CYCLOHEPTEN-7-ONE

Structure Search

SMILES

CN(C)C1=CC=C(CC2=CC3=C(C=C(CC4=CC=C(C=C4)N(C)C)C2=O)C(O)=CC=C3O)C=C1

InChI

InChIKey=ZKHPWXJFZAWDGA-UHFFFAOYSA-N

InChI=1S/C29H30N2O3/c1-30(2)23-9-5-19(6-10-23)15-21-17-25-26(28(33)14-13-27(25)32)18-22(29(21)34)16-20-7-11-24(12-8-20)31(3)4/h5-14,17-18,32-33H,15-16H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C29H30N2O3
Molecular Weight	454.5601
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:11:55 GMT 2025` Edited by `admin` on `Tue Apr 01 20:11:55 GMT 2025`
Record UNII	N8DHY7XG29
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-676441

Preferred Name

English

6,8-BIS(4-(DIMETHYLAMINO)BENZYL)-1,4-DIHYDROXY-7H-BENZO(A)CYCLOHEPTEN-7-ONE

Systematic Name

English

7H-BENZOCYCLOHEPTEN-7-ONE, 6,8-BIS((4-(DIMETHYLAMINO)PHENYL)METHYL)-1,4-DIHYDROXY-

Systematic Name

English

Code System Code Type Description

FDA UNII

N8DHY7XG29