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

Systemtic Name: 4-[[4-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(dimethylamino)-5-nitro-benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(dimethylamino)-5-nitrobenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(dimethylamino)-5-nitro-benzoyl]piperazino]methyl]benzonitrile Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-23(2)20-8-7-18(26(28)29)13-19(20)21(27)25-11-9-24(10-12-25)15-17-5-3-16(14-22)4-6-17/h3-8,13H,9-12,15H2,1-2H3