N-{(1R,2S)-2-[4-bromo-2-(methylcarbamoyl)-6-nitroanilino]cyclohexyl}isoquinoline-4-carboxamide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H24BrN5O4
Molecular Weight	526.382
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-{(1R,2S)-2-[4-bromo-2-(methylcarbamoyl)-6-nitroanilino]cyclohexyl}isoquinoline-4-carboxamide

Structure Search

SMILES

CNC(=O)C1=CC(Br)=CC(=C1N[C@H]2CCCC[C@H]2NC(=O)C3=C4C=CC=CC4=CN=C3)[N+]([O-])=O

InChI

InChIKey=BPLNOSFMIIASSJ-VQTJNVASSA-N

InChI=1S/C24H24BrN5O4/c1-26-23(31)17-10-15(25)11-21(30(33)34)22(17)28-19-8-4-5-9-20(19)29-24(32)18-13-27-12-14-6-2-3-7-16(14)18/h2-3,6-7,10-13,19-20,28H,4-5,8-9H2,1H3,(H,26,31)(H,29,32)/t19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H24BrN5O4
Molecular Weight	526.382
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:18:41 GMT 2025` Edited by `admin` on `Wed Apr 02 21:18:41 GMT 2025`
Record UNII	2XPZ3T7AFF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-Isoquinolinecarboxamide, N-[(1R,2S)-2-[[4-bromo-2-[(methylamino)carbonyl]-6-nitrophenyl]amino]cyclohexyl]-

Preferred Name

English

N-{(1R,2S)-2-[4-bromo-2-(methylcarbamoyl)-6-nitroanilino]cyclohexyl}isoquinoline-4-carboxamide

Systematic Name

English

Code System Code Type Description

CAS

2674032-26-7

Created by admin on Wed Apr 02 21:18:41 GMT 2025 , Edited by admin on Wed Apr 02 21:18:41 GMT 2025

PRIMARY

PUBCHEM

164820586

Created by admin on Wed Apr 02 21:18:41 GMT 2025 , Edited by admin on Wed Apr 02 21:18:41 GMT 2025

PRIMARY

FDA UNII

2XPZ3T7AFF

Created by admin on Wed Apr 02 21:18:41 GMT 2025 , Edited by admin on Wed Apr 02 21:18:41 GMT 2025

PRIMARY