(1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6,7-dicarbonitrile

Systemtic Name: (1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6,7-dicarbonitrile Openeye Name: (1E)-1-[2-(1-adamantyl)-2-oxo-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6,7-dicarbonitrile CAS Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6,7-dicarbonitrile IUPAC Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6,7-dicarbonitrile Traditional Name: (1E)-1-[2-(1-adamantyl)-2-keto-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6,7-dicarbonitrile Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C(=C2)C#N)C#N)C(=CC(=O)C34CC5CC(C3)CC(C5)C4)N1)C

Isomeric SMILES

CC1(CC2=C(C=C(C(=C2)C#N)C#N)/C(=C\C(=O)C34CC5CC(C3)CC(C5)C4)/N1)C

InChI

InChI=1S/C25H27N3O/c1-24(2)12-18-6-19(13-26)20(14-27)7-21(18)22(28-24)8-23(29)25-9-15-3-16(10-25)5-17(4-15)11-25/h6-8,15-17,28H,3-5,9-12H2,1-2H3/b22-8+