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

Systemtic Name: (2S)-1-(1-adamantylmethoxy)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propan-2-ol Openeye Name: (2S)-1-(1-adamantylmethoxy)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propan-2-ol CAS Name: (2S)-1-(1-adamantylmethoxy)-3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(1-adamantylmethoxy)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propan-2-ol Traditional Name: (2S)-1-(1-adamantylmethoxy)-3-[4-(5-chloro-2-methyl-phenyl)piperazino]propan-2-ol Formula: C25H37ClN2O2 MolecularWeight: 433.02648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COCC34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C[C@@H](COCC34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C25H37ClN2O2/c1-18-2-3-22(26)11-24(18)28-6-4-27(5-7-28)15-23(29)16-30-17-25-12-19-8-20(13-25)10-21(9-19)14-25/h2-3,11,19-21,23,29H,4-10,12-17H2,1H3/t19?,20?,21?,23-,25?/m0/s1