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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC(COC(C#N)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

C1CN(CCN1)CC(COC(C#N)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

InChI

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