N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-nitro-benzamide Formula: C23H28N4O6 MolecularWeight: 456.49162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=C(C=CC(=C1)OC)OC)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6/c1-15(19-14-18(32-3)6-8-22(19)33-4)24-23(29)17-5-7-20(21(13-17)27(30)31)26-11-9-25(10-12-26)16(2)28/h5-8,13-15H,9-12H2,1-4H3,(H,24,29)/t15-/m0/s1