N-[1-[4-(2-adamantyl)-3-chloranyl-phenyl]but-3-en-2-yl]-N-ethyl-cyclohexanamine

Systemtic Name: N-[1-[4-(2-adamantyl)-3-chloranyl-phenyl]but-3-en-2-yl]-N-ethyl-cyclohexanamine Openeye Name: N-[1-[[4-(2-adamantyl)-3-chloro-phenyl]methyl]allyl]-N-ethyl-cyclohexanamine CAS Name: N-[1-[4-(2-adamantyl)-3-chlorophenyl]but-3-en-2-yl]-N-ethylcyclohexanamine IUPAC Name: N-[1-[4-(2-adamantyl)-3-chlorophenyl]but-3-en-2-yl]-N-ethylcyclohexanamine Traditional Name: 1-[4-(2-adamantyl)-3-chloro-benzyl]allyl-cyclohexyl-ethyl-amine Formula: C28H40ClN MolecularWeight: 426.0769

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(CC2=CC(=C(C=C2)C3C4CC5CC(C4)CC3C5)Cl)C=C

Isomeric SMILES

CCN(C1CCCCC1)C(CC2=CC(=C(C=C2)C3C4CC5CC(C4)CC3C5)Cl)C=C

InChI

InChI=1S/C28H40ClN/c1-3-24(30(4-2)25-8-6-5-7-9-25)17-19-10-11-26(27(29)18-19)28-22-13-20-12-21(15-22)16-23(28)14-20/h3,10-11,18,20-25,28H,1,4-9,12-17H2,2H3