(2S)-1-(1-adamantyloxy)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(1-adamantyloxy)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propan-2-ol Openeye Name: (2S)-1-(1-adamantyloxy)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propan-2-ol CAS Name: (2S)-1-(1-adamantyloxy)-3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(1-adamantyloxy)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propan-2-ol Traditional Name: (2S)-1-(1-adamantyloxy)-3-[4-(5-chloro-2-methyl-phenyl)piperazino]propan-2-ol Formula: C24H35ClN2O2 MolecularWeight: 418.9999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COC34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C[C@@H](COC34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C24H35ClN2O2/c1-17-2-3-21(25)11-23(17)27-6-4-26(5-7-27)15-22(28)16-29-24-12-18-8-19(13-24)10-20(9-18)14-24/h2-3,11,18-20,22,28H,4-10,12-16H2,1H3/t18?,19?,20?,22-,24?/m0/s1