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

Systemtic Name: 2-[4-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-[4-(1-naphthylmethyl)piperazin-1-yl]propoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-hydroxy-3-[4-(1-naphthalenylmethyl)-1-piperazinyl]propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-hydroxy-3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-hydroxy-3-[4-(1-naphthylmethyl)piperazino]propoxy]phenyl]acetonitrile Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)CC(COC4=CC=C(C=C4)CC#N)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)CC(COC4=CC=C(C=C4)CC#N)O

InChI

InChI=1S/C26H29N3O2/c27-13-12-21-8-10-25(11-9-21)31-20-24(30)19-29-16-14-28(15-17-29)18-23-6-3-5-22-4-1-2-7-26(22)23/h1-11,24,30H,12,14-20H2