1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(2-nitrophenyl)ethanone

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(2-nitrophenyl)ethanone Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(2-nitrophenyl)ethanone CAS Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-2-(2-nitrophenyl)ethanone IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(2-nitrophenyl)ethanone Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazino]-2-(2-nitrophenyl)ethanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-28-18-7-8-20(29-2)17(13-18)15-22-9-11-23(12-10-22)21(25)14-16-5-3-4-6-19(16)24(26)27/h3-8,13H,9-12,14-15H2,1-2H3