3-[4-(4-nitrophenyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzonitrile Formula: C18H16N4O3 MolecularWeight: 336.34464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H16N4O3/c19-13-14-2-1-3-15(12-14)18(23)21-10-8-20(9-11-21)16-4-6-17(7-5-16)22(24)25/h1-7,12H,8-11H2