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

Systemtic Name: (4-chloranyl-2-nitro-phenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (4-chloro-2-nitro-phenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: (4-chloro-2-nitrophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (4-chloro-2-nitrophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (4-chloro-2-nitro-phenyl)-[4-(2,5-dimethoxybenzyl)piperazino]methanone Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5/c1-28-16-4-6-19(29-2)14(11-16)13-22-7-9-23(10-8-22)20(25)17-5-3-15(21)12-18(17)24(26)27/h3-6,11-12H,7-10,13H2,1-2H3