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

Systemtic Name: (1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6-carbonitrile Openeye Name: (1E)-1-[2-(1-adamantyl)-2-oxo-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6-carbonitrile CAS Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6-carbonitrile IUPAC Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6-carbonitrile Traditional Name: (1E)-1-[2-(1-adamantyl)-2-keto-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6-carbonitrile Formula: C24H28N2O MolecularWeight: 360.49192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O/c1-23(2)13-19-8-15(14-25)3-4-20(19)21(26-23)9-22(27)24-10-16-5-17(11-24)7-18(6-16)12-24/h3-4,8-9,16-18,26H,5-7,10-13H2,1-2H3/b21-9+