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

Systemtic Name: 4-[[4-(5-nitro-2-phenoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-nitro-2-phenoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-nitro-2-phenoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-nitro-2-phenoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-nitro-2-phenoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4/c26-17-19-6-8-20(9-7-19)18-27-12-14-28(15-13-27)25(30)23-16-21(29(31)32)10-11-24(23)33-22-4-2-1-3-5-22/h1-11,16H,12-15,18H2