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

Systemtic Name: 2-[2-chloranyl-3-[3-(1-cyclohexylethylamino)prop-1-ynyl]phenyl]adamantan-2-ol Openeye Name: 2-[2-chloro-3-[3-(1-cyclohexylethylamino)prop-1-ynyl]phenyl]adamantan-2-ol CAS Name: 2-[2-chloro-3-[3-(1-cyclohexylethylamino)prop-1-ynyl]phenyl]-2-adamantanol IUPAC Name: 2-[2-chloro-3-[3-(1-cyclohexylethylamino)prop-1-ynyl]phenyl]adamantan-2-ol Traditional Name: 2-[2-chloro-3-[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=C(C(=CC=C2)C3(C4CC5CC(C4)CC3C5)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H36ClNO/c1-18(21-7-3-2-4-8-21)29-12-6-10-22-9-5-11-25(26(22)28)27(30)23-14-19-13-20(16-23)17-24(27)15-19/h5,9,11,18-21,23-24,29-30H,2-4,7-8,12-17H2,1H3