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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

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