3-[methyl-[(6-oxidanyl-2-oxidanylidene-7-phenyl-chromen-4-yl)methyl]amino]propanenitrile

Systemtic Name: 3-[methyl-[(6-oxidanyl-2-oxidanylidene-7-phenyl-chromen-4-yl)methyl]amino]propanenitrile Openeye Name: 3-[(6-hydroxy-2-oxo-7-phenyl-chromen-4-yl)methyl-methyl-amino]propanenitrile CAS Name: 3-[(6-hydroxy-2-oxo-7-phenyl-1-benzopyran-4-yl)methyl-methylamino]propanenitrile IUPAC Name: 3-[(6-hydroxy-2-oxo-7-phenylchromen-4-yl)methyl-methylamino]propanenitrile Traditional Name: 3-[(6-hydroxy-2-keto-7-phenyl-chromen-4-yl)methyl-methyl-amino]propionitrile Formula: C20H18N2O3 MolecularWeight: 334.36852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CC1=CC(=O)OC2=CC(=C(C=C12)O)C3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)CC1=CC(=O)OC2=CC(=C(C=C12)O)C3=CC=CC=C3

InChI

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