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

Systemtic Name: N-[3-[4-(2-adamantyl)-3-chloranyl-phenyl]prop-2-ynyl]-N-ethyl-cyclohexanamine Openeye Name: N-[3-[4-(2-adamantyl)-3-chloro-phenyl]prop-2-ynyl]-N-ethyl-cyclohexanamine CAS Name: N-[3-[4-(2-adamantyl)-3-chlorophenyl]prop-2-ynyl]-N-ethylcyclohexanamine IUPAC Name: N-[3-[4-(2-adamantyl)-3-chlorophenyl]prop-2-ynyl]-N-ethylcyclohexanamine Traditional Name: 3-[4-(2-adamantyl)-3-chloro-phenyl]prop-2-ynyl-cyclohexyl-ethyl-amine Formula: C27H36ClN MolecularWeight: 410.03444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36ClN/c1-2-29(24-8-4-3-5-9-24)12-6-7-19-10-11-25(26(28)18-19)27-22-14-20-13-21(16-22)17-23(27)15-20/h10-11,18,20-24,27H,2-5,8-9,12-17H2,1H3