1-[1-[4-[4-(2-adamantyl)-3-chloranyl-phenyl]but-3-ynyl]cyclohexyl]ethanamine

Systemtic Name: 1-[1-[4-[4-(2-adamantyl)-3-chloranyl-phenyl]but-3-ynyl]cyclohexyl]ethanamine Openeye Name: 1-[1-[4-[4-(2-adamantyl)-3-chloro-phenyl]but-3-ynyl]cyclohexyl]ethanamine CAS Name: 1-[1-[4-[4-(2-adamantyl)-3-chlorophenyl]but-3-ynyl]cyclohexyl]ethanamine IUPAC Name: 1-[1-[4-[4-(2-adamantyl)-3-chlorophenyl]but-3-ynyl]cyclohexyl]ethanamine Traditional Name: 1-[1-[4-[4-(2-adamantyl)-3-chloro-phenyl]but-3-ynyl]cyclohexyl]ethylamine Formula: C28H38ClN MolecularWeight: 424.06102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCCCC1)CCC#CC2=CC(=C(C=C2)C3C4CC5CC(C4)CC3C5)Cl)N

Isomeric SMILES

CC(C1(CCCCC1)CCC#CC2=CC(=C(C=C2)C3C4CC5CC(C4)CC3C5)Cl)N

InChI

InChI=1S/C28H38ClN/c1-19(30)28(10-4-2-5-11-28)12-6-3-7-20-8-9-25(26(29)18-20)27-23-14-21-13-22(16-23)17-24(27)15-21/h8-9,18-19,21-24,27H,2,4-6,10-17,30H2,1H3