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

Systemtic Name: 4-[[4-(2-nitrophenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-nitrobenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-nitrobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-nitrobenzoyl)piperazino]methyl]benzonitrile Formula: C19H18N4O3 MolecularWeight: 350.37122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3/c20-13-15-5-7-16(8-6-15)14-21-9-11-22(12-10-21)19(24)17-3-1-2-4-18(17)23(25)26/h1-8H,9-12,14H2