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

Systemtic Name: 2-[4-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[4-(benzothiophen-3-ylmethyl)piperazino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)CC(COC4=CC=C(C=C4)CC#N)O

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)CC(COC4=CC=C(C=C4)CC#N)O

InChI

InChI=1S/C24H27N3O2S/c25-10-9-19-5-7-22(8-6-19)29-17-21(28)16-27-13-11-26(12-14-27)15-20-18-30-24-4-2-1-3-23(20)24/h1-8,18,21,28H,9,11-17H2