(+/-)-(3SR,3aRS)-2-(pyridin-2-yl)ethyl 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylate

HCID 68802418
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Basic information

Standard SMILES
N#Cc1ccc(N2N=C3c4ccc(C(=O)OCCc5ccccn5)cc4CCC3C2C2CCCC2)cc1Cl
InChIKey
YZMPKYNGQGMAQV-UHFFFAOYSA-N
Molecular formula
C31H29ClN4O2
Average molar mass
525 g/mol

Names & identifiers

Preferred name
(+/-)-(3SR,3aRS)-2-(pyridin-2-yl)ethyl 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylate
IUPAC
2-pyridin-2-ylethyl 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylate

Names & synonyms

SCHEMBL3821785YZMPKYNGQGMAQV-UHFFFAOYSA-N(+/-)-(3SR,3aRS)-2-(pyridin-2-yl)ethyl 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylate

Database identifiers

PubChem CID
68802418

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
78.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
38

Related reactions

2 records
New reaction record

Linked notes

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(+/-)-(3SR,3aRS)-2-(pyridin-2-yl)ethyl 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylate (HCID 68802418)｜Huagongshe