3-nitro-4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-nitro-4-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]benzonitrile CAS Name: 3-nitro-4-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2-keto-2-piperidino-ethyl)piperazino]-3-nitro-benzonitrile Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3/c19-13-15-4-5-16(17(12-15)23(25)26)21-10-8-20(9-11-21)14-18(24)22-6-2-1-3-7-22/h4-5,12H,1-3,6-11,14H2