3-[4-(2-adamantyl)-3-chloranyl-phenyl]-N-(2-cyclohexylethyl)prop-2-yn-1-amine

Systemtic Name: 3-[4-(2-adamantyl)-3-chloranyl-phenyl]-N-(2-cyclohexylethyl)prop-2-yn-1-amine Openeye Name: 3-[4-(2-adamantyl)-3-chloro-phenyl]-N-(2-cyclohexylethyl)prop-2-yn-1-amine CAS Name: 3-[4-(2-adamantyl)-3-chlorophenyl]-N-(2-cyclohexylethyl)-2-propyn-1-amine IUPAC Name: 3-[4-(2-adamantyl)-3-chlorophenyl]-N-(2-cyclohexylethyl)prop-2-yn-1-amine Traditional Name: 3-[4-(2-adamantyl)-3-chloro-phenyl]prop-2-ynyl-(2-cyclohexylethyl)amine Formula: C27H36ClN MolecularWeight: 410.03444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCNCC#CC2=CC(=C(C=C2)C3C4CC5CC(C4)CC3C5)Cl

Isomeric SMILES

C1CCC(CC1)CCNCC#CC2=CC(=C(C=C2)C3C4CC5CC(C4)CC3C5)Cl

InChI

InChI=1S/C27H36ClN/c28-26-18-20(7-4-11-29-12-10-19-5-2-1-3-6-19)8-9-25(26)27-23-14-21-13-22(16-23)17-24(27)15-21/h8-9,18-19,21-24,27,29H,1-3,5-6,10-17H2