(1E,4E)-2-amino-8-(3-cyanophenyl)-N,N-dipropyl-3H-benzo[b]azepine-4-carboxamide

HCID 51033861
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Basic information

Standard SMILES
CCCN(CCC)C(=O)C1=Cc2ccc(-c3cccc(C#N)c3)cc2N=C(N)C1
InChIKey
XLULLIQTPMGIPW-UHFFFAOYSA-N
Molecular formula
C24H26N4O
Average molar mass
386.5 g/mol
Monoisotopic mass
386.21066147

Names & identifiers

Preferred name
(1E,4E)-2-amino-8-(3-cyanophenyl)-N,N-dipropyl-3H-benzo[b]azepine-4-carboxamide
IUPAC
2-amino-8-(3-cyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide

Names & synonyms

SCHEMBL1799969XLULLIQTPMGIPW-UHFFFAOYSA-N(1E,4E)-2-amino-8-(3-cyanophenyl)-N,N-dipropyl-3H-benzo[b]azepine-4-carboxamide

Database identifiers

PubChem CID
51033861

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
82.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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