4-[[4-(2-methyl-5-nitro-pyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methyl-5-nitro-pyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methyl-5-nitro-pyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-methyl-5-nitro-3-pyridinyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methyl-5-nitropyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-methyl-5-nitro-nicotinoyl)piperazino]methyl]benzonitrile Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c1-14-18(10-17(12-21-14)24(26)27)19(25)23-8-6-22(7-9-23)13-16-4-2-15(11-20)3-5-16/h2-5,10,12H,6-9,13H2,1H3