Идентичност

Dalilesen Impurity 8

Не е посочено · C22H21ClN6O

01Идентичност

Lazychem ID	LC-36209
CAS RN	Не е посочено
PubChem CID	118128222
Molecular formula	C22H21ClN6O
Molecular weight	420.9 g/mol
IUPAC name	[(2S)-2-(4-chloro-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
InChIKey	ILYPGEWTTWFVFH-QFIPXVFZSA-N

02Структура и стереохимия

Two-dimensional chemical structure of Dalilesen Impurity 8 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCC[C@@]3(C)C4=NC5=C(N4)C=CC=C5Cl
InChI	Не е посочено

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.