3-nitro-4-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]benzonitrile CAS Name: 3-nitro-4-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]benzonitrile Traditional Name: 3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazino]benzonitrile Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3/c17-12-13-3-4-14(15(11-13)21(23)24)18-7-9-20(10-8-18)16(22)19-5-1-2-6-19/h3-4,11H,1-2,5-10H2