ETHYL 3-CYANO-7-METHYL-6-OXO-6H-PYRAZOLO(1,5-A)(1,3)DIAZEPINE-8-CARBOXYLATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H10N4O3
Molecular Weight	258.2328
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL 3-CYANO-7-METHYL-6-OXO-6H-PYRAZOLO(1,5-A)(1,3)DIAZEPINE-8-CARBOXYLATE

Structure Search

SMILES

CCOC(=O)C1=C(C)C(=O)C=NC2=C(C=NN12)C#N

InChI

InChIKey=LKYFEMNLYPYDQF-UHFFFAOYSA-N

InChI=1S/C12H10N4O3/c1-3-19-12(18)10-7(2)9(17)6-14-11-8(4-13)5-15-16(10)11/h5-6H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H10N4O3
Molecular Weight	258.2328
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 `Sat Dec 16 12:57:19 GMT 2023` Edited by `admin` on `Sat Dec 16 12:57:19 GMT 2023`
Record UNII	BDQ1UF50VO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYL 3-CYANO-7-METHYL-6-OXO-6H-PYRAZOLO(1,5-A)(1,3)DIAZEPINE-8-CARBOXYLATE

Systematic Name

English

6H-PYRAZOLO(1,5-A)(1,3)DIAZEPINE-8-CARBOXYLIC ACID, 3-CYANO-7-METHYL-6-OXO-, ETHYL ESTER

Systematic Name

English

NSC-348735

Code

English

Code System Code Type Description

NSC

348735

Created by admin on Sat Dec 16 12:57:19 GMT 2023 , Edited by admin on Sat Dec 16 12:57:19 GMT 2023

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PUBCHEM

335971

Created by admin on Sat Dec 16 12:57:19 GMT 2023 , Edited by admin on Sat Dec 16 12:57:19 GMT 2023

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CAS

77936-97-1

Created by admin on Sat Dec 16 12:57:19 GMT 2023 , Edited by admin on Sat Dec 16 12:57:19 GMT 2023

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EPA CompTox

DTXSID80228588

Created by admin on Sat Dec 16 12:57:19 GMT 2023 , Edited by admin on Sat Dec 16 12:57:19 GMT 2023

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FDA UNII

BDQ1UF50VO

Created by admin on Sat Dec 16 12:57:19 GMT 2023 , Edited by admin on Sat Dec 16 12:57:19 GMT 2023

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