3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile

HCID 324042

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Basic information

CAS: 53586-93-9
Standard SMILES: N#CC1CCCC(Cc2ccccc2)(c2ccccc2)C1=O
InChIKey: ZXSFYIXLJPDABS-UHFFFAOYSA-N
Molecular formula: C20H19NO
Average molar mass: 289.4 g/mol
Monoisotopic mass: 289.14666423

Overview

See also: 3-Benzyl-2-oxo-3-phenyl-1-cyclohexanecarbonitrile (annotation moved to).

Names & identifiers

Preferred name: 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile
IUPAC: 3-benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile

Names & synonyms

53586-93-93-benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrileNSC287550DTXSID10314721AKOS024324937NSC-2875503-Benzyl-2-oxo-3-phenylcyclohexanecarbonitrile

Database identifiers

CAS: 53586-93-9
PubChem CID: 324042
DTXSID: DTXSID10314721

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 40.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 436

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