N-[4-[4-(2-adamantyl)-2-chloranyl-phenyl]but-3-ynyl]-N-ethyl-cyclohexanamine

Systemtic Name: N-[4-[4-(2-adamantyl)-2-chloranyl-phenyl]but-3-ynyl]-N-ethyl-cyclohexanamine Openeye Name: N-[4-[4-(2-adamantyl)-2-chloro-phenyl]but-3-ynyl]-N-ethyl-cyclohexanamine CAS Name: N-[4-[4-(2-adamantyl)-2-chlorophenyl]but-3-ynyl]-N-ethylcyclohexanamine IUPAC Name: N-[4-[4-(2-adamantyl)-2-chlorophenyl]but-3-ynyl]-N-ethylcyclohexanamine Traditional Name: 4-[4-(2-adamantyl)-2-chloro-phenyl]but-3-ynyl-cyclohexyl-ethyl-amine Formula: C28H38ClN MolecularWeight: 424.06102

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#CC1=C(C=C(C=C1)C2C3CC4CC(C3)CC2C4)Cl)C5CCCCC5

Isomeric SMILES

CCN(CCC#CC1=C(C=C(C=C1)C2C3CC4CC(C3)CC2C4)Cl)C5CCCCC5

InChI

InChI=1S/C28H38ClN/c1-2-30(26-9-4-3-5-10-26)13-7-6-8-22-11-12-23(19-27(22)29)28-24-15-20-14-21(17-24)18-25(28)16-20/h11-12,19-21,24-26,28H,2-5,7,9-10,13-18H2,1H3