2-[2-chloranyl-4-[3-(1-cyclohexylethylamino)prop-1-ynyl]phenyl]adamantan-2-ol

Systemtic Name: 2-[2-chloranyl-4-[3-(1-cyclohexylethylamino)prop-1-ynyl]phenyl]adamantan-2-ol Openeye Name: 2-[2-chloro-4-[3-(1-cyclohexylethylamino)prop-1-ynyl]phenyl]adamantan-2-ol CAS Name: 2-[2-chloro-4-[3-(1-cyclohexylethylamino)prop-1-ynyl]phenyl]-2-adamantanol IUPAC Name: 2-[2-chloro-4-[3-(1-cyclohexylethylamino)prop-1-ynyl]phenyl]adamantan-2-ol Traditional Name: 2-[2-chloro-4-[3-(1-cyclohexylethylamino)prop-1-ynyl]phenyl]adamantan-2-ol Formula: C27H36ClNO MolecularWeight: 426.03384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NCC#CC2=CC(=C(C=C2)C3(C4CC5CC(C4)CC3C5)O)Cl

Isomeric SMILES

CC(C1CCCCC1)NCC#CC2=CC(=C(C=C2)C3(C4CC5CC(C4)CC3C5)O)Cl

InChI

InChI=1S/C27H36ClNO/c1-18(22-7-3-2-4-8-22)29-11-5-6-19-9-10-25(26(28)17-19)27(30)23-13-20-12-21(15-23)16-24(27)14-20/h9-10,17-18,20-24,29-30H,2-4,7-8,11-16H2,1H3