N-[1-(2,4-dichlorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[1-(2,4-dichlorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[1-(2,4-dichlorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[1-(2,4-dichlorophenyl)ethyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[1-(2,4-dichlorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[1-(2,4-dichlorophenyl)ethyl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C20H22Cl2N4O3 MolecularWeight: 437.31968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22Cl2N4O3/c1-13(16-5-4-15(21)12-17(16)22)23-20(27)14-3-6-18(19(11-14)26(28)29)25-9-7-24(2)8-10-25/h3-6,11-13H,7-10H2,1-2H3,(H,23,27)