(2E)-1-(1-adamantyl)-2-(7-bromanyl-6-chloranyl-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone

Systemtic Name: (2E)-1-(1-adamantyl)-2-(7-bromanyl-6-chloranyl-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone Openeye Name: (2E)-1-(1-adamantyl)-2-(7-bromo-6-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone CAS Name: (2E)-1-(1-adamantyl)-2-(7-bromo-6-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone IUPAC Name: (2E)-1-(1-adamantyl)-2-(7-bromo-6-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone Traditional Name: (2E)-1-(1-adamantyl)-2-(7-bromo-6-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone Formula: C23H27BrClNO MolecularWeight: 448.82358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrClNO/c1-22(2)12-16-6-19(25)18(24)7-17(16)20(26-22)8-21(27)23-9-13-3-14(10-23)5-15(4-13)11-23/h6-8,13-15,26H,3-5,9-12H2,1-2H3/b20-8+