4-[[4-[2-(4-nitrophenyl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-nitrophenyl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-nitrophenyl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-nitrophenyl)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-nitrophenyl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-nitrophenyl)acetyl]piperazino]methyl]benzonitrile Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c21-14-17-1-3-18(4-2-17)15-22-9-11-23(12-10-22)20(25)13-16-5-7-19(8-6-16)24(26)27/h1-8H,9-13,15H2