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

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-(2-methoxy-5-nitrophenyl)methanone IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-methoxy-5-nitrophenyl)methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-(4-veratrylpiperazino)methanone Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O6/c1-28-18-7-5-16(24(26)27)13-17(18)21(25)23-10-8-22(9-11-23)14-15-4-6-19(29-2)20(12-15)30-3/h4-7,12-13H,8-11,14H2,1-3H3