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

Systemtic Name: 4-[[4-[2-(4-methoxyphenoxy)-5-nitro-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-methoxyphenoxy)-5-nitro-benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(4-methoxyphenoxy)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-methoxyphenoxy)-5-nitrobenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-methoxyphenoxy)-5-nitro-benzoyl]piperazino]methyl]benzonitrile Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H24N4O5/c1-34-22-7-9-23(10-8-22)35-25-11-6-21(30(32)33)16-24(25)26(31)29-14-12-28(13-15-29)18-20-4-2-19(17-27)3-5-20/h2-11,16H,12-15,18H2,1H3