3-[N-(2-cyanoethyl)-4-[[5-(4-methylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile

HCID 334382

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Basic information

CAS: 89080-20-6
Standard SMILES: Cc1ccc(C2=CC(=Cc3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1
InChIKey: WYOFYCDFIQDSTK-UHFFFAOYSA-N
Molecular formula: C24H21N3O2
Average molar mass: 383.4 g/mol
Monoisotopic mass: 383.16337692

Names & identifiers

Preferred name: 3-[N-(2-cyanoethyl)-4-[[5-(4-methylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile
IUPAC: 3-[N-(2-cyanoethyl)-4-[[5-(4-methylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile

Names & synonyms

3-[2-Cyanoethyl-[4-[[5-(4-methylphenyl)-2-oxo-3-furylidene]methyl]phenyl]amino]propanenitrileNSC-339430878C996QHU3-[N-(2-cyanoethyl)-4-[[5-(4-methylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrileDS-0140453,3'-[[4-[[5-(4-Methylphenyl)-2-oxo-3(2H)-furanylidene]methyl]phenyl]imino]bis[propanenitrile]

Database identifiers

CAS: 89080-20-6
PubChem CID: 334382
UNII: 878C996QHU

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 77.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 715

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