(1Z)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carbonitrile

Systemtic Name: (1Z)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carbonitrile Openeye Name: (1Z)-1-[2-(1-adamantyl)-2-oxo-ethylidene]-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carbonitrile CAS Name: (1Z)-1-[2-(1-adamantyl)-2-oxoethylidene]-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carbonitrile IUPAC Name: (1Z)-1-[2-(1-adamantyl)-2-oxoethylidene]-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carbonitrile Traditional Name: (1Z)-1-[2-(1-adamantyl)-2-keto-ethylidene]-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carbonitrile Formula: C25H30N2O MolecularWeight: 374.5185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#N)C(=CC(=O)C34CC5CC(C3)CC(C5)C4)NC(C2)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C#N)/C(=C/C(=O)C34CC5CC(C3)CC(C5)C4)/NC(C2)(C)C

InChI

InChI=1S/C25H30N2O/c1-15-4-19-13-24(2,3)27-22(21(19)8-20(15)14-26)9-23(28)25-10-16-5-17(11-25)7-18(6-16)12-25/h4,8-9,16-18,27H,5-7,10-13H2,1-3H3/b22-9-