6-[4-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazino]nicotinonitrile Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c20-11-15-1-6-19(21-12-15)23-9-7-22(8-10-23)13-17(25)14-28-18-4-2-16(3-5-18)24(26)27/h1-6,12,17,25H,7-10,13-14H2