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

Systemtic Name: (4-ethylphenyl)-[4-(2-methyl-5-nitro-pyridin-3-yl)carbonylpiperazin-1-yl]methanone Openeye Name: (4-ethylphenyl)-[4-(2-methyl-5-nitro-pyridine-3-carbonyl)piperazin-1-yl]methanone CAS Name: (4-ethylphenyl)-[4-[(2-methyl-5-nitro-3-pyridinyl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (4-ethylphenyl)-[4-(2-methyl-5-nitropyridine-3-carbonyl)piperazin-1-yl]methanone Traditional Name: (4-ethylphenyl)-[4-(2-methyl-5-nitro-nicotinoyl)piperazino]methanone Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CN=C3C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CN=C3C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-3-15-4-6-16(7-5-15)19(25)22-8-10-23(11-9-22)20(26)18-12-17(24(27)28)13-21-14(18)2/h4-7,12-13H,3,8-11H2,1-2H3