1-(4-Cyano-2-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine

HCID 21083237
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Basic information

Standard SMILES
Cc1cc(C#N)ccc1C(=O)N1CCCCc2ccccc21
InChIKey
PXJORRLYPIOVBW-UHFFFAOYSA-N
Molecular formula
C19H18N2O
Average molar mass
290.4 g/mol

Names & identifiers

Preferred name
1-(4-Cyano-2-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
IUPAC
3-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzonitrile

Names & synonyms

SCHEMBL5233854PXJORRLYPIOVBW-UHFFFAOYSA-N1-(4-Cyano-2-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine

Database identifiers

PubChem CID
21083237

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
22

Related reactions

2 records
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Compound notes

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