1-(4-Cyano-3-methylbenzoyl)-5-(3-pyridyl)methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

HCID 21083243
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Basic information

Standard SMILES
Cc1cc(C(=O)N2CCCN(Cc3cccnc3)c3ccccc32)ccc1C#N
InChIKey
ZQJSBEIXSNRULP-UHFFFAOYSA-N
Molecular formula
C24H22N4O
Average molar mass
382.5 g/mol

Names & identifiers

Preferred name
1-(4-Cyano-3-methylbenzoyl)-5-(3-pyridyl)methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
IUPAC
2-methyl-4-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]benzonitrile

Names & synonyms

SCHEMBL5229164ZQJSBEIXSNRULP-UHFFFAOYSA-N1-(4-Cyano-3-methylbenzoyl)-5-(3-pyridyl)methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

Database identifiers

PubChem CID
21083243

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
60.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
29

Related reactions

2 records
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Compound notes

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