3-[methyl-[(7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl]amino]propanenitrile

Systemtic Name: 3-[methyl-[(7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl]amino]propanenitrile Openeye Name: 3-[(7-hydroxy-4-oxo-3-phenyl-chromen-8-yl)methyl-methyl-amino]propanenitrile CAS Name: 3-[(7-hydroxy-4-oxo-3-phenyl-1-benzopyran-8-yl)methyl-methylamino]propanenitrile IUPAC Name: 3-[(7-hydroxy-4-oxo-3-phenylchromen-8-yl)methyl-methylamino]propanenitrile Traditional Name: 3-[(7-hydroxy-4-keto-3-phenyl-chromen-8-yl)methyl-methyl-amino]propionitrile Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3)O

Isomeric SMILES

CN(CCC#N)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H18N2O3/c1-22(11-5-10-21)12-16-18(23)9-8-15-19(24)17(13-25-20(15)16)14-6-3-2-4-7-14/h2-4,6-9,13,23H,5,11-12H2,1H3