7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H15ClN2O4
Molecular Weight	358.776
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one

Structure Search

SMILES

CC1=C(C=CC(=C1)[N+]([O-])=O)C(=O)N2CCCC(=O)C3=CC(Cl)=CC=C23

InChI

InChIKey=NNCRQBJNAGEBDM-UHFFFAOYSA-N

InChI=1S/C18H15ClN2O4/c1-11-9-13(21(24)25)5-6-14(11)18(23)20-8-2-3-17(22)15-10-12(19)4-7-16(15)20/h4-7,9-10H,2-3,8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C18H15ClN2O4
Molecular Weight	358.776
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 19:29:15 GMT 2023` Edited by `admin` on `Sat Dec 16 19:29:15 GMT 2023`
Record UNII	EWB5QJ6P82
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one

Systematic Name

English

7-Chloro-1-(2-methyl-4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one

Systematic Name

English

7-Chloro-1-(2-methyl-4-nitrobenzoyl)-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine

Systematic Name

English

5H-1-Benzazepin-5-one, 7-chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-

Systematic Name

English

7-Chloro-1-(2-methyl-4-nitrobenzoyl)-5-oxo-2,3,4,5+tetrahydro-1H-1-benzazepine

Systematic Name

English

1-(2-Methyl-4-nitrobenzoyl)-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one

Systematic Name

English

Code System Code Type Description

CAS

137982-91-3

Created by admin on Sat Dec 16 19:29:15 GMT 2023 , Edited by admin on Sat Dec 16 19:29:15 GMT 2023

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PUBCHEM

19608065

Created by admin on Sat Dec 16 19:29:15 GMT 2023 , Edited by admin on Sat Dec 16 19:29:15 GMT 2023

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FDA UNII

EWB5QJ6P82

Created by admin on Sat Dec 16 19:29:15 GMT 2023 , Edited by admin on Sat Dec 16 19:29:15 GMT 2023

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EPA CompTox

DTXSID50599035

Created by admin on Sat Dec 16 19:29:15 GMT 2023 , Edited by admin on Sat Dec 16 19:29:15 GMT 2023

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