(6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-4,7-dioxo-2-((3-(pyridin-2-yl)isoxazol-5-yl)methyl)-8-(quinolin-5-ylmethyl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H36N8O5
Molecular Weight	708.7644
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-4,7-dioxo-2-((3-(pyridin-2-yl)isoxazol-5-yl)methyl)-8-(quinolin-5-ylmethyl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide

Structure Search

SMILES

[H][C@]12CN(CC3=C4C=CC=NC4=CC=C3)C(=O)[C@H](CC5=CC=C(O)C=C5)N1C(=O)CN(CC6=CC(=NO6)C7=NC=CC=C7)N2C(=O)NCC8=CC=CC=C8

InChI

InChIKey=RXZGEZOZWDKTQS-BCRBLDSWSA-N

InChI=1S/C40H36N8O5/c49-30-16-14-27(15-17-30)20-36-39(51)45(23-29-10-6-13-33-32(29)11-7-19-41-33)25-37-47(36)38(50)26-46(48(37)40(52)43-22-28-8-2-1-3-9-28)24-31-21-35(44-53-31)34-12-4-5-18-42-34/h1-19,21,36-37,49H,20,22-26H2,(H,43,52)/t36-,37-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-4,7-dioxo-2-((3-(pyridin-2-yl)isoxazol-5-yl)methyl)-8-(quinolin-5-ylmethyl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide

Systematic Name

English

2H-Pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide, hexahydro-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-N-(phenylmethyl)-2-[[3-(2-pyridinyl)-5-isoxazolyl]methyl]-8-(5-quinolinylmethyl)-, (6S,9aS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

159929413

Created by admin on Sat Dec 16 19:32:48 GMT 2023 , Edited by admin on Sat Dec 16 19:32:48 GMT 2023

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CAS

2710292-55-8

Created by admin on Sat Dec 16 19:32:48 GMT 2023 , Edited by admin on Sat Dec 16 19:32:48 GMT 2023

PRIMARY

FDA UNII