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

Systemtic Name: 2-[4-[3-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-hydroxy-3-[4-(4-nitrophenyl)-1-piperazinyl]propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-hydroxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-hydroxy-3-[4-(4-nitrophenyl)piperazino]propoxy]phenyl]acetonitrile Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)CC#N)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)CC#N)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c22-10-9-17-1-7-21(8-2-17)29-16-20(26)15-23-11-13-24(14-12-23)18-3-5-19(6-4-18)25(27)28/h1-8,20,26H,9,11-16H2