1-Ethyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

HCID 17808917
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCn1cnc(N2CCc3ccccc3CC2)c(C#N)c1=O
InChIKey
PYZYUWYXKCTDGH-UHFFFAOYSA-N
Molecular formula
C17H18N4O
Average molar mass
294.35 g/mol
Monoisotopic mass
294.14806121

Names & identifiers

Preferred name
1-Ethyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
IUPAC
1-ethyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Names & synonyms

SCHEMBL6949201

Database identifiers

PubChem CID
17808917

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
59.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
22

Related reactions

1 records
New reaction record

Compound notes

Loading…