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

Systemtic Name: 1-[3-[4-(2-adamantyl)-3-chloranyl-phenyl]prop-2-ynyl]azepane Openeye Name: 1-[3-[4-(2-adamantyl)-3-chloro-phenyl]prop-2-ynyl]azepane CAS Name: 1-[3-[4-(2-adamantyl)-3-chlorophenyl]prop-2-ynyl]azepane IUPAC Name: 1-[3-[4-(2-adamantyl)-3-chlorophenyl]prop-2-ynyl]azepane Traditional Name: 1-[3-[4-(2-adamantyl)-3-chloro-phenyl]prop-2-ynyl]azepane Formula: C25H32ClN MolecularWeight: 381.98128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClN/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