4-[[4-[2-(3-nitrophenoxy)ethyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3-nitrophenoxy)ethyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-nitrophenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3-nitrophenoxy)ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3-nitrophenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-nitrophenoxy)ethyl]piperazino]methyl]benzonitrile Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22N4O3/c21-15-17-4-6-18(7-5-17)16-23-10-8-22(9-11-23)12-13-27-20-3-1-2-19(14-20)24(25)26/h1-7,14H,8-13,16H2