1-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-(2-nitrophenyl)ethanone

Systemtic Name: 1-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-(2-nitrophenyl)ethanone Openeye Name: 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone CAS Name: 1-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-2-(2-nitrophenyl)ethanone IUPAC Name: 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone Traditional Name: 1-[4-(3,5-dimethoxybenzoyl)piperazino]-2-(2-nitrophenyl)ethanone Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-29-17-11-16(12-18(14-17)30-2)21(26)23-9-7-22(8-10-23)20(25)13-15-5-3-4-6-19(15)24(27)28/h3-6,11-12,14H,7-10,13H2,1-2H3