2-[4-[3-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[4-(1-adamantyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[4-(1-adamantyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[4-(1-adamantyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[4-(1-adamantyl)piperazino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C25H35N3O2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)CC#N)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)CC#N)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O2/c26-6-5-19-1-3-24(4-2-19)30-18-23(29)17-27-7-9-28(10-8-27)25-14-20-11-21(15-25)13-22(12-20)16-25/h1-4,20-23,29H,5,7-18H2