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

Systemtic Name: 2-[4-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[4-(4-ethoxybenzyl)piperazino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)CC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)CC(COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C24H31N3O3/c1-2-29-23-9-5-21(6-10-23)17-26-13-15-27(16-14-26)18-22(28)19-30-24-7-3-20(4-8-24)11-12-25/h3-10,22,28H,2,11,13-19H2,1H3