4-[(dimethylamino)methylene]-1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepin-5-one

HCID 53653564

Basic information

Standard SMILES
CN(C)C=C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O
InChIKey
AOIJXXLBBMUUPV-UHFFFAOYSA-N
Molecular formula
C20H19N3O4
Average molar mass
365.4 g/mol

Names & identifiers

Preferred name
4-[(dimethylamino)methylene]-1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepin-5-one
IUPAC
4-(dimethylaminomethylidene)-1-(4-nitrobenzoyl)-2,3-dihydro-1-benzazepin-5-one

Names & synonyms

SCHEMBL7330871AOIJXXLBBMUUPV-UHFFFAOYSA-N4-[(dimethylamino)-methylene]-1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepin-5-one4-[(dimethylamino)methylene]-1,2,3,4,-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepin-5-one4-[(dimethylamino)methylene]-1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepin-5-one4-[(dimethylamino)methylene]-1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1-benzazepine-5-one4-[(Dimethylamino)methylene]-1,2,3,4-tetrahydro-1-(4-nitrobenzoyl)-5H-1benzazepin-5-one

Database identifiers

PubChem CID
53653564

Properties

Computed structural properties

XLogP
3
Topological polar surface area
86.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
27

Related reactions

51 records

Linked notes

Loading…