BMS-962212

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H28ClFN8O5
Molecular Weight	659.067
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCN(C(=O)C1)C2=CC=CC3=C2CCN([C@@H]3C(=O)NC4=CC=C(C=C4)C(O)=O)C(=O)\C=C\C5=C(C=CC(Cl)=C5F)N6C=NN=N6

InChI

InChIKey=WYFCZWSWFGJODV-MIANJLSGSA-N

InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H28ClFN8O5
Molecular Weight	659.067
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Thu Jul 06 19:30:51 UTC 2023` Edited by `admin` on `Thu Jul 06 19:30:51 UTC 2023`
Record UNII	VWJ4VVZ3OU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-962212

Code

English

BENZOIC ACID, 4-((((1S)-2-((2E)-3-(3-CHLORO-2-FLUORO-6-(1H-TETRAZOL-1-YL)PHENYL)-1-OXO-2-PROPEN-1-YL)-1,2,3,4-TETRAHYDRO-5-(4-METHYL-2-OXO-1-PIPERAZINYL)-1-ISOQUINOLINYL)CARBONYL)AMINO)-

Systematic Name

English

Code System Code Type Description

FDA UNII

VWJ4VVZ3OU

Created by admin on Thu Jul 06 19:30:52 UTC 2023 , Edited by admin on Thu Jul 06 19:30:52 UTC 2023

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PUBCHEM

71548883

Created by admin on Thu Jul 06 19:30:52 UTC 2023 , Edited by admin on Thu Jul 06 19:30:52 UTC 2023

PRIMARY

CAS