N-[3-(2-azatricyclo[10.4.0.0<SUP>4,9</SUP>-]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-4-(2-bromoacetyl)benzamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H21BrN2O3
Molecular Weight	501.371
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-[3-(2-azatricyclo[10.4.0.0<SUP>4,9</SUP>-]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-4-(2-bromoacetyl)benzamide

Structure Search

SMILES

BrCC(=O)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C24

InChI

InChIKey=MUHVYGNGBSFTGD-UHFFFAOYSA-N

InChI=1S/C27H21BrN2O3/c28-17-25(31)21-11-13-22(14-12-21)27(33)29-16-15-26(32)30-18-23-7-2-1-5-19(23)9-10-20-6-3-4-8-24(20)30/h1-8,11-14H,15-18H2,(H,29,33)

HIDE SMILES / InChI

Molecular Formula	C27H21BrN2O3
Molecular Weight	501.371
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 `Wed Apr 02 19:56:41 GMT 2025` Edited by `admin` on `Wed Apr 02 19:56:41 GMT 2025`
Record UNII	HB3P4APW2L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzamide, 4-(2-bromoacetyl)-N-[3-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-3-oxopropyl]-

Preferred Name

English

N-[3-(2-azatricyclo[10.4.0.0<SUP>4,9</SUP>-]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-4-(2-bromoacetyl)benzamide

Systematic Name

English

Code System Code Type Description

CAS

2806047-36-7

Created by admin on Wed Apr 02 19:56:41 GMT 2025 , Edited by admin on Wed Apr 02 19:56:41 GMT 2025

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FDA UNII

HB3P4APW2L

Created by admin on Wed Apr 02 19:56:41 GMT 2025 , Edited by admin on Wed Apr 02 19:56:41 GMT 2025

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PUBCHEM

170657608

Created by admin on Wed Apr 02 19:56:41 GMT 2025 , Edited by admin on Wed Apr 02 19:56:41 GMT 2025

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