4-[4-[4-(4-nitrophenyl)piperazin-1-yl]piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[4-(4-nitrophenyl)piperazin-1-yl]piperidin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[4-(4-nitrophenyl)piperazin-1-yl]-1-piperidyl]benzonitrile CAS Name: 4-[4-[4-(4-nitrophenyl)-1-piperazinyl]-1-piperidinyl]benzonitrile IUPAC Name: 4-[4-[4-(4-nitrophenyl)piperazin-1-yl]piperidin-1-yl]benzonitrile Traditional Name: 4-[4-[4-(4-nitrophenyl)piperazino]piperidino]benzonitrile Formula: C22H25N5O2 MolecularWeight: 391.4662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H25N5O2/c23-17-18-1-3-19(4-2-18)24-11-9-21(10-12-24)26-15-13-25(14-16-26)20-5-7-22(8-6-20)27(28)29/h1-8,21H,9-16H2