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

Systemtic Name: 3-[3-iodanyl-2-(3-morpholin-4-ylpropyl)-4-oxidanylidene-2H-chromen-3-yl]propanenitrile Openeye Name: 3-[3-iodo-2-(3-morpholinopropyl)-4-oxo-chroman-3-yl]propanenitrile CAS Name: 3-[3-iodo-2-[3-(4-morpholinyl)propyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]propanenitrile IUPAC Name: 3-[3-iodo-2-(3-morpholin-4-ylpropyl)-4-oxo-2H-chromen-3-yl]propanenitrile Traditional Name: 3-[3-iodo-4-keto-2-(3-morpholinopropyl)chroman-3-yl]propionitrile Formula: C19H23IN2O3 MolecularWeight: 454.30199

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCC2C(C(=O)C3=CC=CC=C3O2)(CCC#N)I

Isomeric SMILES

C1COCCN1CCCC2C(C(=O)C3=CC=CC=C3O2)(CCC#N)I

InChI

InChI=1S/C19H23IN2O3/c20-19(8-4-9-21)17(7-3-10-22-11-13-24-14-12-22)25-16-6-2-1-5-15(16)18(19)23/h1-2,5-6,17H,3-4,7-8,10-14H2