4-[[4-[2-(methylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(methylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(methylamino)-5-nitro-benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(methylamino)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(methylamino)-5-nitrobenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(methylamino)-5-nitro-benzoyl]piperazino]methyl]benzonitrile Formula: C20H21N5O3 MolecularWeight: 379.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N5O3/c1-22-19-7-6-17(25(27)28)12-18(19)20(26)24-10-8-23(9-11-24)14-16-4-2-15(13-21)3-5-16/h2-7,12,22H,8-11,14H2,1H3