3-[3-iodanyl-2-(2-morpholin-4-ylethyl)-4-oxidanylidene-2H-chromen-3-yl]propanenitrile

Systemtic Name: 3-[3-iodanyl-2-(2-morpholin-4-ylethyl)-4-oxidanylidene-2H-chromen-3-yl]propanenitrile Openeye Name: 3-[3-iodo-2-(2-morpholinoethyl)-4-oxo-chroman-3-yl]propanenitrile CAS Name: 3-[3-iodo-2-[2-(4-morpholinyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]propanenitrile IUPAC Name: 3-[3-iodo-2-(2-morpholin-4-ylethyl)-4-oxo-2H-chromen-3-yl]propanenitrile Traditional Name: 3-[3-iodo-4-keto-2-(2-morpholinoethyl)chroman-3-yl]propionitrile Formula: C18H21IN2O3 MolecularWeight: 440.27541

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC2C(C(=O)C3=CC=CC=C3O2)(CCC#N)I

Isomeric SMILES

C1COCCN1CCC2C(C(=O)C3=CC=CC=C3O2)(CCC#N)I

InChI

InChI=1S/C18H21IN2O3/c19-18(7-3-8-20)16(6-9-21-10-12-23-13-11-21)24-15-5-2-1-4-14(15)17(18)22/h1-2,4-5,16H,3,6-7,9-13H2