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

Systemtic Name: (1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carbonitrile Openeye Name: (1E)-1-[2-(1-adamantyl)-2-oxo-ethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carbonitrile CAS Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carbonitrile IUPAC Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carbonitrile Traditional Name: (1E)-1-[2-(1-adamantyl)-2-keto-ethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carbonitrile Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O2/c1-24(2)13-18-8-22(29-3)19(14-26)7-20(18)21(27-24)9-23(28)25-10-15-4-16(11-25)6-17(5-15)12-25/h7-9,15-17,27H,4-6,10-13H2,1-3H3/b21-9+