(3S,6R)-6-(4-methoxyphenyl)-4-oxidanylidene-3-propan-2-yl-cyclohexane-1,1,2,2-tetracarbonitrile

Systemtic Name: (3S,6R)-6-(4-methoxyphenyl)-4-oxidanylidene-3-propan-2-yl-cyclohexane-1,1,2,2-tetracarbonitrile Openeye Name: (3S,6R)-3-isopropyl-6-(4-methoxyphenyl)-4-oxo-cyclohexane-1,1,2,2-tetracarbonitrile CAS Name: (3S,6R)-6-(4-methoxyphenyl)-4-oxo-3-propan-2-ylcyclohexane-1,1,2,2-tetracarbonitrile IUPAC Name: (3S,6R)-6-(4-methoxyphenyl)-4-oxo-3-propan-2-ylcyclohexane-1,1,2,2-tetracarbonitrile Traditional Name: (3S,6R)-3-isopropyl-4-keto-6-(4-methoxyphenyl)cyclohexane-1,1,2,2-tetracarbonitrile Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)CC(C(C1(C#N)C#N)(C#N)C#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H]1C(=O)C[C@@H](C(C1(C#N)C#N)(C#N)C#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H18N4O2/c1-13(2)18-17(25)8-16(14-4-6-15(26-3)7-5-14)19(9-21,10-22)20(18,11-23)12-24/h4-7,13,16,18H,8H2,1-3H3/t16-,18-/m1/s1