N-[1-(3,4-dichlorophenyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[1-(3,4-dichlorophenyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[1-(3,4-dichlorophenyl)ethyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[1-(3,4-dichlorophenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[1-(3,4-dichlorophenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[1-(3,4-dichlorophenyl)ethyl]-3-nitro-benzamide Formula: C21H22Cl2N4O4 MolecularWeight: 465.32978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4O4/c1-13(15-3-5-17(22)18(23)11-15)24-21(29)16-4-6-19(20(12-16)27(30)31)26-9-7-25(8-10-26)14(2)28/h3-6,11-13H,7-10H2,1-2H3,(H,24,29)