[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-5-nitro-pyridin-3-yl)methanone

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-5-nitro-pyridin-3-yl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-5-nitro-3-pyridyl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-(2-methyl-5-nitro-3-pyridinyl)methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-5-nitropyridin-3-yl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazino]-(2-methyl-5-nitro-3-pyridyl)methanone Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5/c1-14-18(11-16(12-21-14)24(26)27)20(25)23-8-6-22(7-9-23)13-15-10-17(28-2)4-5-19(15)29-3/h4-5,10-12H,6-9,13H2,1-3H3