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

Systemtic Name: (1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carbaldehyde Openeye Name: (1E)-1-[2-(1-adamantyl)-2-oxo-ethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carbaldehyde CAS Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxaldehyde IUPAC Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carbaldehyde Traditional Name: (1E)-1-[2-(1-adamantyl)-2-keto-ethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carbaldehyde Formula: C25H31NO3 MolecularWeight: 393.51854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=CC(=O)C34CC5CC(C3)CC(C5)C4)N1)C=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO3/c1-24(2)13-18-8-22(29-3)19(14-27)7-20(18)21(26-24)9-23(28)25-10-15-4-16(11-25)6-17(5-15)12-25/h7-9,14-17,26H,4-6,10-13H2,1-3H3/b21-9+