4-[[4-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-nitro-4-pyrrolidin-1-yl-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-nitro-4-pyrrolidino-benzoyl)piperazino]methyl]benzonitrile Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3/c24-16-18-3-5-19(6-4-18)17-25-11-13-27(14-12-25)23(29)20-7-8-21(22(15-20)28(30)31)26-9-1-2-10-26/h3-8,15H,1-2,9-14,17H2