1-[4-[(2-adamantylmethylamino)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol

Systemtic Name: 1-[4-[(2-adamantylmethylamino)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol Openeye Name: 1-[4-[(2-adamantylmethylamino)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol CAS Name: 1-[4-[(2-adamantylmethylamino)methyl]phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol IUPAC Name: 1-[4-[(2-adamantylmethylamino)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol Traditional Name: 1-[4-[(2-adamantylmethylamino)methyl]phenoxy]-3-(4-methylpiperazino)propan-2-ol Formula: C26H41N3O2 MolecularWeight: 427.62264

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(COC2=CC=C(C=C2)CNCC3C4CC5CC(C4)CC3C5)O

Isomeric SMILES

CN1CCN(CC1)CC(COC2=CC=C(C=C2)CNCC3C4CC5CC(C4)CC3C5)O

InChI

InChI=1S/C26H41N3O2/c1-28-6-8-29(9-7-28)17-24(30)18-31-25-4-2-19(3-5-25)15-27-16-26-22-11-20-10-21(13-22)14-23(26)12-20/h2-5,20-24,26-27,30H,6-18H2,1H3