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

Systemtic Name: 4-[[4-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4,5-dimethoxy-2-nitro-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4,5-dimethoxy-2-nitrobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4,5-dimethoxy-2-nitro-benzoyl)piperazino]methyl]benzonitrile Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O5/c1-29-19-11-17(18(25(27)28)12-20(19)30-2)21(26)24-9-7-23(8-10-24)14-16-5-3-15(13-22)4-6-16/h3-6,11-12H,7-10,14H2,1-2H3