4-((4-(CHLOROPHENYL)METHYL)-2-(HEXAHYDRO-1-(2-PHENYLETHYL)-1H-AZEPIN-4-YL)-1(2H)-PHTHALAZINONE

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H30ClN3O
Molecular Weight	472.021
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0
Stereo Comments	ASSUMED RACEMIC

SHOW SMILES / InChI

Structure of 4-((4-(CHLOROPHENYL)METHYL)-2-(HEXAHYDRO-1-(2-PHENYLETHYL)-1H-AZEPIN-4-YL)-1(2H)-PHTHALAZINONE

Structure Search

SMILES

ClC1=CC=C(CC2=NN(C3CCCN(CCC4=CC=CC=C4)CC3)C(=O)C5=C2C=CC=C5)C=C1

InChI

InChIKey=FQZPDUGONGVOMC-UHFFFAOYSA-N

InChI=1S/C29H30ClN3O/c30-24-14-12-23(13-15-24)21-28-26-10-4-5-11-27(26)29(34)33(31-28)25-9-6-18-32(20-17-25)19-16-22-7-2-1-3-8-22/h1-5,7-8,10-15,25H,6,9,16-21H2

HIDE SMILES / InChI

Molecular Formula	C29H30ClN3O
Molecular Weight	472.021
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:16:57 GMT 2025` Edited by `admin` on `Wed Apr 02 09:16:57 GMT 2025`
Record UNII	1R39NY6UYN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DE(FLUORO) CHLOROFLEZELASTINE

Preferred Name

English

4-((4-(CHLOROPHENYL)METHYL)-2-(HEXAHYDRO-1-(2-PHENYLETHYL)-1H-AZEPIN-4-YL)-1(2H)-PHTHALAZINONE

Systematic Name

English

Code System Code Type Description

CAS

103541-68-0

Created by admin on Wed Apr 02 09:16:57 GMT 2025 , Edited by admin on Wed Apr 02 09:16:57 GMT 2025

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FDA UNII

1R39NY6UYN

Created by admin on Wed Apr 02 09:16:57 GMT 2025 , Edited by admin on Wed Apr 02 09:16:57 GMT 2025

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PUBCHEM

59761

Created by admin on Wed Apr 02 09:16:57 GMT 2025 , Edited by admin on Wed Apr 02 09:16:57 GMT 2025

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Related Record Type Details


					592NCETNKT

4-((4-(CHLOROPHENYL)METHYL)-2-(HEXAHYDRO-1-(2-PHENYLETHYL)-1H-AZEPIN-4-YL)-1(2H)-PHTHALAZINONE HYDROCHLORIDE

SALT/SOLVATE -> PARENT