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

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

Systemtic Name:2-[4-[3-[4-(1-adamantyl)piperazin-1-yl]propoxy]phenyl]ethanenitrile
Openeye Name:2-[4-[3-[4-(1-adamantyl)piperazin-1-yl]propoxy]phenyl]acetonitrile
CAS Name:2-[4-[3-[4-(1-adamantyl)-1-piperazinyl]propoxy]phenyl]acetonitrile
IUPAC Name:2-[4-[3-[4-(1-adamantyl)piperazin-1-yl]propoxy]phenyl]acetonitrile
Traditional Name:2-[4-[3-[4-(1-adamantyl)piperazino]propoxy]phenyl]acetonitrile
Formula: C25H35N3O
MolecularWeight: 393.5649
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=C(C=C2)CC#N)C34CC5CC(C3)CC(C5)C4


Isomeric SMILES

C1CN(CCN1CCCOC2=CC=C(C=C2)CC#N)C34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C25H35N3O/c26-7-6-20-2-4-24(5-3-20)29-13-1-8-27-9-11-28(12-10-27)25-17-21-14-22(18-25)16-23(15-21)19-25/h2-5,21-23H,1,6,8-19H2


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