(5E)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,4-dimethyl-2,6-bis(oxidanylidene)pyridine-3-carbonitrile

Systemtic Name: (5E)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,4-dimethyl-2,6-bis(oxidanylidene)pyridine-3-carbonitrile Openeye Name: (5E)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile CAS Name: (5E)-5-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methylidene]-1,4-dimethyl-2,6-dioxo-3-pyridinecarbonitrile IUPAC Name: (5E)-5-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile Traditional Name: (5E)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-2,6-diketo-1,4-dimethyl-nicotinonitrile Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)C1=CC2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C)C#N

Isomeric SMILES

CC\1=C(C(=O)N(C(=O)/C1=C/C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C)C#N

InChI

InChI=1S/C28H28N4O2/c1-17-23(26(33)31(2)27(34)24(17)15-29)11-21-16-32(22-6-4-3-5-7-22)30-25(21)28-12-18-8-19(13-28)10-20(9-18)14-28/h3-7,11,16,18-20H,8-10,12-14H2,1-2H3/b23-11+