1-[3-[4-(2-adamantyl)-3-chloranyl-phenyl]prop-2-ynyl]azepane hydrochloride

Systemtic Name: 1-[3-[4-(2-adamantyl)-3-chloranyl-phenyl]prop-2-ynyl]azepane hydrochloride Openeye Name: 1-[3-[4-(2-adamantyl)-3-chloro-phenyl]prop-2-ynyl]azepane hydrochloride CAS Name: 1-[3-[4-(2-adamantyl)-3-chlorophenyl]prop-2-ynyl]azepane hydrochloride IUPAC Name: 1-[3-[4-(2-adamantyl)-3-chlorophenyl]prop-2-ynyl]azepane hydrochloride Traditional Name: 1-[3-[4-(2-adamantyl)-3-chloro-phenyl]prop-2-ynyl]azepane hydrochloride Formula: C25H33Cl2N MolecularWeight: 418.44222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CC2=CC(=C(C=C2)C3C4CC5CC(C4)CC3C5)Cl.Cl

Isomeric SMILES

C1CCCN(CC1)CC#CC2=CC(=C(C=C2)C3C4CC5CC(C4)CC3C5)Cl.Cl

InChI

InChI=1S/C25H32ClN.ClH/c26-24-17-18(6-5-11-27-9-3-1-2-4-10-27)7-8-23(24)25-21-13-19-12-20(15-21)16-22(25)14-19;/h7-8,17,19-22,25H,1-4,9-16H2;1H