3-[3-(2-cyanopropyl)-2-cyclohexyl-4-oxidanylidene-2H-chromen-3-yl]-2-methyl-propanenitrile

Systemtic Name: 3-[3-(2-cyanopropyl)-2-cyclohexyl-4-oxidanylidene-2H-chromen-3-yl]-2-methyl-propanenitrile Openeye Name: 3-[3-(2-cyanopropyl)-2-cyclohexyl-4-oxo-chroman-3-yl]-2-methyl-propanenitrile CAS Name: 3-[3-(2-cyanopropyl)-2-cyclohexyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-methylpropanenitrile IUPAC Name: 3-[3-(2-cyanopropyl)-2-cyclohexyl-4-oxo-2H-chromen-3-yl]-2-methylpropanenitrile Traditional Name: 3-[3-(2-cyanopropyl)-2-cyclohexyl-4-keto-chroman-3-yl]-2-methyl-propionitrile Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1(C(OC2=CC=CC=C2C1=O)C3CCCCC3)CC(C)C#N)C#N

Isomeric SMILES

CC(CC1(C(OC2=CC=CC=C2C1=O)C3CCCCC3)CC(C)C#N)C#N

InChI

InChI=1S/C23H28N2O2/c1-16(14-24)12-23(13-17(2)15-25)21(26)19-10-6-7-11-20(19)27-22(23)18-8-4-3-5-9-18/h6-7,10-11,16-18,22H,3-5,8-9,12-13H2,1-2H3