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

Systemtic Name: 4-[3-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[4-(4-nitrophenyl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[4-(4-nitrophenyl)piperazino]propoxy]benzonitrile Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c21-13-16-1-7-20(8-2-16)28-15-19(25)14-22-9-11-23(12-10-22)17-3-5-18(6-4-17)24(26)27/h1-8,19,25H,9-12,14-15H2