(4-nitrophenyl)-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]methanone

Systemtic Name: (4-nitrophenyl)-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]methanone Openeye Name: (4-nitrophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone CAS Name: (4-nitrophenyl)-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (4-nitrophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone Traditional Name: (4-nitrophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazino]methanone Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7/c1-29-17-12-15(13-18(30-2)19(17)31-3)21(26)23-10-8-22(9-11-23)20(25)14-4-6-16(7-5-14)24(27)28/h4-7,12-13H,8-11H2,1-3H3